data_5wxe_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 5wxe _Structure_validation_residue.Date_analyzed 2018-01-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.445 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.13 61.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 25' ' ' CYS . 2.3 mt -82.2 141.0 33.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.637 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -48.99 117.97 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.326 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 t -129.97 159.02 37.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -107.57 -52.51 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.409 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -112.8 -163.65 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.175 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -66.28 -27.78 68.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -152.18 64.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -98.98 26.83 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.4 m -115.23 -32.99 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 57.86 27.65 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.9 m-30 -90.09 171.71 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.775 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -87.97 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.428 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.18 17.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.445 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 11.7 m0 -149.33 87.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.822 0.344 . . . . 0.0 110.763 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.79 -14.71 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.754 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -90.25 98.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.657 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 33.6 m -90.08 129.2 36.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.452 . . . . 0.0 111.444 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.1 ttp180 -103.56 -158.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.47 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.52 87.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.739 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 61.55 25.54 65.39 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.358 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -130.16 167.78 17.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 111.596 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 4' ' ' LEU . 2.3 t -130.98 134.6 46.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.437 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -159.98 174.34 14.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.01 -33.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.9 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.455 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.868 0.366 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.07 64.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.761 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 25' ' ' CYS . 7.6 mt -79.92 139.22 37.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -45.91 120.78 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.663 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.3 t -133.82 161.18 35.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.724 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.15 -36.89 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.304 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -125.17 -164.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.064 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -64.54 -26.33 68.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -158.87 51.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.92 -14.3 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 6.2 p -79.71 -37.19 36.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.641 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 55.13 45.94 25.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.608 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CD1' ' HB2' ' A' ' 12' ' ' CYS . 14.1 m-85 -90.08 -177.26 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.716 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -65.44 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.815 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -90.35 20.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.408 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.455 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 6.2 m0 -147.02 87.92 1.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -17.76 11.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.453 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -90.19 101.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.735 0.302 . . . . 0.0 110.795 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.11 134.45 34.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 0.0 111.517 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.92 -159.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.782 179.343 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.96 84.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.853 0.358 . . . . 0.0 110.705 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.5 26.9 73.55 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.345 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.21 168.47 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.01 0.433 . . . . 0.0 111.571 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 4' ' ' LEU . 32.4 t -138.19 121.02 16.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.149 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 17.1 p30 -144.91 -174.77 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.398 . . . . 0.0 111.227 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -79.8 -34.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.901 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.46 ' CD2' ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 100.15 13.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.561 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 8.1 mt -79.74 -170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.225 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.54 122.71 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.697 0.284 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 13.8 t -141.73 159.12 42.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.302 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.03 -36.48 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -117.59 -163.93 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 m -70.21 -27.64 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -153.15 63.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.999 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -96.15 25.86 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.457 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -120.13 -23.1 6.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 p30 46.62 28.4 0.78 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.731 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.457 ' CD1' ' HB2' ' A' ' 12' ' ' CYS . 22.0 m-85 -90.12 166.58 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -90.16 -47.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.236 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.436 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 2.7 tp -88.1 7.52 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.46 ' CZ2' ' CD2' ' A' ' 2' ' ' LEU . 5.6 m-90 -154.71 92.25 1.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 0.0 110.707 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 p -123.4 -15.66 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.43 101.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 110.629 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.4 m -90.19 133.61 34.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.169 0.509 . . . . 0.0 111.834 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.9 mtt-85 -117.32 -149.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.406 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 87.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.914 0.387 . . . . 0.0 111.709 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 50.07 25.05 7.23 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.383 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 28.7 p -134.73 164.75 26.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.777 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.3 t -119.68 128.91 54.25 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -143.1 -177.44 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 tp -86.32 -36.07 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.938 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.456 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.75 90.73 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.4 mt -100.33 138.75 36.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.77 122.87 6.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -128.54 161.71 28.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -113.41 -32.51 6.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -134.12 -163.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.049 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -66.93 -28.65 68.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -152.62 66.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 111.139 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.57 26.72 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.691 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 5.2 m -118.0 -34.37 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 58.67 25.9 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.355 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.8 m-30 -89.99 167.37 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.61 -52.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.509 HD12 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.0 10.83 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.697 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.509 ' CD2' HD12 ' A' ' 16' ' ' ILE . 10.0 m0 -150.01 87.98 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -125.32 -15.77 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.663 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.13 98.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.322 . . . . 0.0 110.62 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.7 m -90.01 133.2 34.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 111.513 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -105.05 -159.4 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.586 179.205 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.58 84.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 66.31 26.88 72.7 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.335 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -132.74 169.44 16.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.064 0.459 . . . . 0.0 111.651 -179.694 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.0 t -132.53 132.54 42.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.356 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -154.3 -178.72 7.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -87.11 -34.52 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.892 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.454 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.352 . . . . 0.0 110.827 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.05 59.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' CYS . 7.8 mt -80.06 123.51 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.17 122.67 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.513 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -144.47 166.8 24.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -105.64 -70.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.1 p -81.45 -176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.08 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -17.04 62.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -157.77 60.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 111.299 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -99.98 28.43 4.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.31 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.6 m -114.02 -29.68 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.949 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.28 29.1 17.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.344 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 31.2 m-85 -90.11 164.49 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.43 -56.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.15 17.55 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.505 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 12.5 m0 -146.08 87.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -120.56 -14.49 8.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.615 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.9 t -90.07 98.53 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.585 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.059 0.457 . . . . 0.0 111.623 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -101.29 -160.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -51.02 88.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.861 0.362 . . . . 0.0 110.765 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.22 21.08 52.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.468 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -128.13 164.98 21.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.959 0.409 . . . . 0.0 111.531 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -122.92 132.73 54.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 24.8 p30 -160.04 170.8 20.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 0.0 111.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 tt -79.96 -36.53 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.47 ' CD2' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.857 0.36 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.9 95.47 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.568 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.2 mt -79.96 -172.42 3.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.01 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.71 128.89 37.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.1 t -147.66 157.81 43.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -125.22 -38.28 2.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.955 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -109.23 -160.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 m -75.05 -30.7 61.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.742 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.0 -19.66 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.3 m -79.76 -29.91 40.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.717 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 52.94 25.33 3.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.425 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 21.0 m-85 -90.06 171.41 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.818 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.9 pt -88.95 -40.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.481 HD11 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.23 0.99 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.568 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.481 ' CD2' HD11 ' A' ' 16' ' ' ILE . 11.6 m0 -147.33 86.22 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.767 0.318 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 t -117.54 -20.01 9.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.31 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.673 0.273 . . . . 0.0 110.417 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 11.4 m -87.89 133.02 34.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 111.942 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' GLY . 6.4 ttt180 -111.74 -151.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.66 87.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.966 0.412 . . . . 0.0 111.665 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.04 30.49 38.17 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.276 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 29.5 p -142.43 162.59 35.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.978 0.389 . . . . 0.0 111.651 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 9.7 p -117.28 126.64 53.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 4.8 p-10 -139.07 -177.6 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.93 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.52 -43.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.946 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.468 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.778 0.323 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 91.67 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 25' ' ' CYS . 3.0 mt -102.8 138.82 39.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -48.46 123.01 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.8 t -125.69 162.14 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -110.32 -32.26 7.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.373 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -139.28 -162.99 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.5 p -61.04 -32.14 71.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.091 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.56 66.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.89 26.69 4.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 4.7 m -111.97 -28.38 8.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 59.83 19.41 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.452 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.1 m-30 -90.19 161.37 15.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 pp -89.67 -39.17 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.496 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.18 0.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.589 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.496 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.6 m0 -147.26 87.6 1.67 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -120.92 -18.03 7.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.655 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.1 t -90.12 98.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.506 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 57.2 m -90.13 135.26 33.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 111.648 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 5.0 ttt85 -106.08 -158.63 0.67 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.569 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.71 83.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 110.582 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.32 25.53 73.62 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.296 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -129.71 168.62 16.23 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.012 0.434 . . . . 0.0 111.624 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.5 t -133.22 127.93 34.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.374 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -148.92 175.38 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 4.2 tt -80.02 -44.18 22.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.244 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.857 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.487 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.766 0.317 . . . . 0.0 110.683 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.89 85.86 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 25' ' ' CYS . 7.9 mt -94.83 126.96 40.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.899 0.38 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.41 126.09 24.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 p -142.43 166.85 23.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -104.74 -51.28 3.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.935 0.398 . . . . 0.0 111.151 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.11 179.03 4.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.022 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -60.8 -17.79 51.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -156.25 61.55 0.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.775 0.321 . . . . 0.0 111.247 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.3 27.78 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.1 m -116.2 -30.78 5.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 64.03 22.54 12.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -90.13 158.53 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.784 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 pt -90.05 -39.76 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.49 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.39 6.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 179.138 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.49 ' CE3' ' CD1' ' A' ' 16' ' ' ILE . 9.7 m0 -148.03 87.83 1.63 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.854 0.359 . . . . 0.0 110.586 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -120.27 -17.41 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.626 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 t -90.14 101.12 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.1 m -88.18 125.08 34.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.03 0.443 . . . . 0.0 111.646 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -96.24 -157.5 0.59 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.568 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.81 88.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 110.563 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.17 21.89 57.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.18 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -124.5 165.96 16.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.976 0.417 . . . . 0.0 111.531 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -124.68 130.64 52.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.097 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -152.94 175.5 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -81.69 -34.5 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.91 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.435 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.787 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' CYS . 6.7 mt -80.01 117.32 20.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.446 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.26 127.88 11.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.546 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 p -143.3 172.62 12.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -108.93 -67.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 p -84.93 -178.11 6.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.5 p -60.46 -19.74 57.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.73 62.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.61 31.99 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.078 0.466 . . . . 0.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.18 -35.9 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.752 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 t30 67.47 17.42 10.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.239 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.1 165.17 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -46.99 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.415 HD13 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.11 11.76 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.47 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.435 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 12.0 m0 -146.26 86.05 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -120.36 -13.48 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.804 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.12 104.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.32 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -89.6 125.92 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 111.669 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -104.15 -160.43 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.162 178.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.39 87.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.21 16.05 40.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.866 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.68 165.74 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 111.213 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' LEU . 42.9 t -132.07 127.99 37.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.428 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 11.5 p30 -154.32 -177.95 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -80.57 -34.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.466 ' CD2' ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.886 0.374 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.87 98.57 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.775 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.564 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 14.3 mt -79.72 -171.67 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.95 124.49 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 49.2 t -145.31 157.48 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -122.18 -35.92 3.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.209 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -112.94 -158.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.987 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -76.45 -27.48 56.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.083 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 67.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 111.004 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -98.26 32.65 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -124.01 -41.58 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.899 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 66.47 24.89 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.295 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CD1' ' HB2' ' A' ' 12' ' ' CYS . 23.4 m-85 -90.05 166.88 13.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.804 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 16' ' ' ILE . 18.6 pt -89.43 -46.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.529 HD11 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.2 7.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.547 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.529 ' CD2' HD11 ' A' ' 16' ' ' ILE . 11.1 m0 -151.92 90.34 1.53 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 p -124.46 -17.68 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.854 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 t -90.46 101.82 12.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.68 0.276 . . . . 0.0 110.556 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.8 m -83.88 131.18 34.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.207 0.527 . . . . 0.0 111.77 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.8 ttt85 -112.13 -152.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.448 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.12 87.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.77 21.83 16.8 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.301 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 27.3 p -133.24 168.08 19.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.102 0.451 . . . . 0.0 111.754 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.4 t -119.99 125.3 48.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -136.69 -173.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt -88.15 -35.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.928 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.452 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.808 0.337 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -159.99 63.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 25' ' ' CYS . 10.1 mt -79.94 133.56 36.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.3 mt -46.52 121.12 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.222 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 52.6 t -137.04 156.66 48.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -119.86 -39.69 2.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 p -105.25 -155.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.686 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -84.31 -25.9 28.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.667 0.27 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 mtt85 -147.86 71.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.88 24.88 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.0 m -110.14 -40.63 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 71.87 7.86 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.33 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 11.1 m-85 -90.25 168.02 12.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.37 -37.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.421 HD12 ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.14 1.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.328 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.452 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 13.7 m0 -145.32 84.78 1.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 111.063 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -125.19 -11.04 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.799 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.22 102.28 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.15 127.11 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.042 0.449 . . . . 0.0 111.451 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -107.92 -159.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 179.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.72 89.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 111.325 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 18.45 35.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.906 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.36 168.05 16.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 2.1 t -135.93 130.43 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.763 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -160.04 -176.56 5.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.667 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -79.8 -30.13 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.432 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.04 61.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 25' ' ' CYS . 6.2 mt -80.35 125.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -51.23 121.63 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.543 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.35 167.61 22.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -105.74 -69.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 111.133 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 p -80.23 -174.2 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.138 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -67.06 -14.08 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.36 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.8 60.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.62 27.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.354 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 2.8 m -114.27 -30.21 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.888 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 m120 61.65 28.85 17.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.519 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 31.5 m-85 -90.13 166.43 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -89.93 -54.85 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.418 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.21 17.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.39 179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.432 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 10.6 m0 -147.82 88.05 1.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.3 p -121.39 -14.97 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.76 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.4 t -90.18 101.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -89.63 126.52 35.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.011 0.434 . . . . 0.0 111.684 -179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -102.89 -158.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.527 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.42 87.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.809 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.21 22.28 49.6 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.497 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -127.54 161.25 29.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.921 0.391 . . . . 0.0 111.54 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -120.58 136.29 54.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.06 173.47 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -80.01 -32.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.253 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.966 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.421 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.76 0.314 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.401 ' CA ' ' HB2' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -120.94 94.45 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.055 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.464 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 42.1 mt -88.6 114.83 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.511 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mt -37.95 120.27 0.84 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.1 p -140.08 171.68 13.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -107.05 -67.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 0.0 111.18 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -85.63 -175.94 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.95 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -18.79 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -158.26 65.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.62 27.04 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 10.1 m -116.78 -31.36 5.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.959 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 59.24 25.99 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.188 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.427 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.4 m-30 -90.08 158.2 17.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 pt -90.05 -36.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.423 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 4.7 tp -89.0 -5.28 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.464 ' CE3' ' CD1' ' A' ' 4' ' ' LEU . 6.1 m-90 -149.5 89.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.536 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 -20.56 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.732 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.18 117.21 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.596 0.236 . . . . 0.0 110.562 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -90.07 128.0 36.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.095 0.474 . . . . 0.0 111.612 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.94 -154.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.136 178.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.26 87.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 111.406 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.85 22.73 19.98 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.948 -0.569 . . . . 0.0 113.054 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 2.1 p -137.06 175.51 9.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.135 0.493 . . . . 0.0 111.93 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -114.03 149.61 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.516 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -160.0 173.22 16.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.993 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 tp -80.0 -32.1 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.12 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.912 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.744 0.307 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.53 76.09 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 111.236 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' CYS . 88.2 mt -92.31 102.95 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.452 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pp -32.74 120.54 0.33 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.9 172.81 13.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.526 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -113.86 -68.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -79.99 -169.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.7 m -69.27 -16.62 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.316 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -159.97 53.15 0.34 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 111.402 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.05 -9.16 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.594 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.543 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 3.6 p -79.72 -34.52 39.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.612 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 52.71 40.01 29.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.582 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.543 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 12.0 m-85 -90.06 -176.93 5.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.827 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mt -90.05 -66.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.425 HD11 ' CH2' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -90.26 24.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.684 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.443 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 5.3 m-90 -147.08 89.08 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.491 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -116.75 -16.74 10.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.775 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 109.37 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -89.48 126.6 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.55 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -104.69 -159.54 0.72 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.332 178.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.38 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 57.9 22.92 49.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.73 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 m -133.62 167.05 21.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 4' ' ' LEU . 10.6 t -131.8 129.96 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -147.99 -173.51 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 2.5 tt -79.64 -44.51 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.383 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.432 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.801 0.334 . . . . 0.0 110.812 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.08 61.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' CYS . 10.9 mt -79.93 117.11 20.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.592 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -46.63 115.54 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 p -133.61 -177.16 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -126.51 -64.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -79.92 -165.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.4 p -71.92 -26.74 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -147.27 75.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.78 -17.75 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.85 -43.29 22.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.982 0.42 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 71.48 21.94 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.387 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -90.14 175.88 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.32 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 15' ' ' ILE . 21.9 pt -90.29 -45.1 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.739 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.423 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.28 10.95 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.271 179.579 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 26' ' ' ASN . 12.5 m0 -148.45 86.76 1.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.723 0.297 . . . . 0.0 111.018 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -126.74 -12.3 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.932 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.6 t -90.26 104.8 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.079 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -88.53 123.91 33.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.459 . . . . 0.0 111.451 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt180 -103.11 -160.98 0.81 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.292 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -50.49 89.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.928 0.394 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.97 18.16 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.781 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -127.91 164.3 22.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -132.26 124.42 28.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.442 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -153.22 -176.42 5.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 tp -79.97 -37.45 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.96 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.426 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -125.07 94.95 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' CYS . 9.9 mt -99.99 139.66 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tp -48.57 122.07 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 t -134.91 160.78 37.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -116.96 -38.18 3.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.418 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -124.18 -164.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -63.44 -28.48 70.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.53 57.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -79.8 -18.32 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.618 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 4.2 p -79.72 -39.07 31.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 m120 54.87 40.67 32.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.644 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.523 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 14.7 m-85 -90.1 175.71 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -87.62 -54.48 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.094 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 16' ' ' ILE . 3.2 tp -90.12 13.9 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.544 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.434 ' CD1' ' O ' ' A' ' 16' ' ' ILE . 5.2 m-90 -156.05 92.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 0.0 110.675 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 t -120.52 -17.63 8.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.814 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.3 t -90.08 102.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.792 0.33 . . . . 0.0 110.566 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.6 m -89.62 136.06 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.52 . . . . 0.0 111.9 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.3 ttm-85 -108.33 -156.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.613 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.71 86.99 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 62.02 29.53 72.9 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.616 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -136.85 169.72 17.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.996 0.427 . . . . 0.0 111.573 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 31.1 t -133.18 124.3 27.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.955 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -144.16 -176.59 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.985 0.421 . . . . 0.0 111.578 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -89.12 -34.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.105 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.875 -179.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.449 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.821 0.343 . . . . 0.0 110.836 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.02 58.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' CYS . 8.0 mt -80.01 124.94 29.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.76 121.74 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.508 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 p -142.58 165.76 26.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.755 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.59 -70.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 111.035 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -82.28 -179.03 7.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.074 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.52 -19.3 56.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.269 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -155.55 60.67 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.809 0.338 . . . . 0.0 111.273 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -102.78 30.95 4.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.22 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.8 m -114.17 -25.98 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.032 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.49 22.14 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 23.3 m-85 -90.19 156.8 18.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.71 0.29 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.451 HD12 HG21 ' A' ' 15' ' ' ILE . 24.7 pt -90.06 -45.26 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.427 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.21 11.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.449 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 12.0 m0 -146.12 87.63 1.76 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.999 0.428 . . . . 0.0 110.535 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.02 -15.07 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.64 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.8 t -89.96 98.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -84.4 125.63 32.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.06 0.457 . . . . 0.0 111.608 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt-85 -102.25 -159.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.68 87.75 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.62 20.48 46.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.47 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -126.33 164.33 21.28 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 111.567 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -123.23 132.51 54.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.415 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 26.5 p30 -160.03 170.27 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 tt -79.96 -40.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.129 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.43 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' CYS . 6.4 mt -79.86 115.27 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.549 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -45.14 128.68 7.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.745 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.95 171.75 14.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.8 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -108.49 -68.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.5 p -83.29 -177.55 6.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -17.99 60.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.379 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.65 66.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.31 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -105.69 32.86 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.021 0.439 . . . . 0.0 110.338 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -114.39 -29.62 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.84 -179.572 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.45 18.98 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 30.3 m-85 -90.17 161.58 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tt -90.22 -46.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.425 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.17 11.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.43 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 11.0 m0 -145.94 85.86 1.7 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 0.0 110.782 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 p -118.86 -14.03 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.8 t -90.17 104.25 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -88.73 125.37 34.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.693 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.8 mmt180 -103.52 -159.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.258 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.64 88.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.36 17.45 39.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.807 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.92 164.43 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 4' ' ' LEU . 42.9 t -130.19 126.31 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.415 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -151.21 -176.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -79.88 -33.2 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.425 ' HG ' ' CE2' ' A' ' 17' ' ' TRP . 1.4 mm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.07 67.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' CYS . 9.0 mt -86.34 126.52 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.739 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.73 120.57 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.414 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 p -141.72 170.56 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -108.72 -68.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.175 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -82.37 -177.71 6.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.113 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -61.63 -17.8 56.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.388 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.65 64.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 111.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -98.39 24.63 7.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.968 0.413 . . . . 0.0 110.422 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.8 m -114.5 -26.19 8.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.037 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t30 56.52 22.8 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.364 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 18.1 m-30 -90.08 157.0 17.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mm -87.99 -43.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.418 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 3.1 tp -85.02 2.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.255 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.437 ' CD2' HD13 ' A' ' 4' ' ' LEU . 5.5 m-90 -151.3 90.35 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.974 0.416 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.9 -18.35 8.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.695 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -88.05 107.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.515 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -88.93 126.25 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.078 0.466 . . . . 0.0 111.759 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -102.43 -158.48 0.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.3 87.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.741 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 20.28 42.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.448 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -126.4 166.44 17.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.93 0.395 . . . . 0.0 111.62 -179.558 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -121.4 135.89 55.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.238 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -151.51 172.77 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.408 . . . . 0.0 111.38 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.8 tp -79.97 -33.14 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.838 -179.93 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.446 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.49 90.36 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.6 mt -99.09 139.48 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -49.13 122.37 5.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.287 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.7 t -133.74 158.78 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -118.02 -36.65 3.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.217 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -116.86 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.99 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.5 m -75.81 -27.3 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -147.0 66.93 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -98.83 32.87 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.14 -37.85 3.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.91 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m120 64.73 15.5 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.384 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -90.19 169.06 11.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.758 0.313 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 tt -89.64 -47.3 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.21 10.41 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 179.68 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TRP . . . . . 0.565 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.2 m0 -149.62 85.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 110.724 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -127.22 -13.65 5.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 t -90.05 100.86 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 18.0 m -90.06 130.33 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 111.596 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.5 ttt85 -105.58 -158.11 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.699 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.373 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.79 26.56 65.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.575 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.64 171.53 14.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 111.459 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 36.6 t -135.07 134.18 40.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.304 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -154.38 -172.77 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.41 -31.62 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.918 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.827 0.346 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -131.32 176.48 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.13 61.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 25' ' ' CYS . 2.3 mt -82.2 141.0 33.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.637 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -48.99 117.97 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.326 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 t -129.97 159.02 37.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -107.57 -52.51 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.409 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 t -112.8 -163.65 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.175 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -66.28 -27.78 68.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -152.18 64.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.191 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -98.98 26.83 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.4 m -115.23 -32.99 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 57.86 27.65 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.9 m-30 -90.09 171.71 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.775 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -87.97 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.428 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.18 17.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.445 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 11.7 m0 -149.33 87.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.822 0.344 . . . . 0.0 110.763 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.79 -14.71 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.754 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.6 t -90.25 98.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.657 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.407 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 33.6 m -90.08 129.2 36.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.452 . . . . 0.0 111.444 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.1 ttp180 -103.56 -158.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.47 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.52 87.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.739 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 61.55 25.54 65.39 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.358 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -130.16 167.78 17.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 111.596 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 4' ' ' LEU . 2.3 t -130.98 134.6 46.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.437 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -159.98 174.34 14.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.01 -33.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.4 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.9 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -139.64 177.2 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.07 64.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.761 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 25' ' ' CYS . 7.6 mt -79.92 139.22 37.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -45.91 120.78 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.663 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.3 t -133.82 161.18 35.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.724 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.15 -36.89 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.304 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -125.17 -164.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.064 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -64.54 -26.33 68.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -158.87 51.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.92 -14.3 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 6.2 p -79.71 -37.19 36.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.641 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 55.13 45.94 25.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.608 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.518 ' CD1' ' HB2' ' A' ' 12' ' ' CYS . 14.1 m-85 -90.08 -177.26 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.716 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -65.44 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.815 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.463 HG21 HD13 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -90.35 20.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.408 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.455 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 6.2 m0 -147.02 87.92 1.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -17.76 11.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.453 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -90.19 101.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.735 0.302 . . . . 0.0 110.795 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.464 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.11 134.45 34.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 0.0 111.517 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.92 -159.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.782 179.343 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.96 84.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.853 0.358 . . . . 0.0 110.705 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.5 26.9 73.55 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.345 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.21 168.47 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.01 0.433 . . . . 0.0 111.571 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 4' ' ' LEU . 32.4 t -138.19 121.02 16.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.149 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.406 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 17.1 p30 -144.91 -174.77 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.398 . . . . 0.0 111.227 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -79.8 -34.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.901 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.836 0.35 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.46 ' CD2' ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -160.03 91.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 100.15 13.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.561 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 8.1 mt -79.74 -170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.225 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.54 122.71 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.697 0.284 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 13.8 t -141.73 159.12 42.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.302 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.03 -36.48 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -117.59 -163.93 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 m -70.21 -27.64 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -153.15 63.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.999 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -96.15 25.86 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.457 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -120.13 -23.1 6.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 p30 46.62 28.4 0.78 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.731 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.457 ' CD1' ' HB2' ' A' ' 12' ' ' CYS . 22.0 m-85 -90.12 166.58 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -90.16 -47.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.236 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.436 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 2.7 tp -88.1 7.52 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.46 ' CZ2' ' CD2' ' A' ' 2' ' ' LEU . 5.6 m-90 -154.71 92.25 1.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 0.0 110.707 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.5 p -123.4 -15.66 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.43 101.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 110.629 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.4 m -90.19 133.61 34.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.169 0.509 . . . . 0.0 111.834 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.9 mtt-85 -117.32 -149.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.406 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 87.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.914 0.387 . . . . 0.0 111.709 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 50.07 25.05 7.23 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.383 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.561 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 28.7 p -134.73 164.75 26.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.777 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.455 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.3 t -119.68 128.91 54.25 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -143.1 -177.44 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 tp -86.32 -36.07 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.938 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.456 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -132.81 132.37 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.75 90.73 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.4 mt -100.33 138.75 36.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.77 122.87 6.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -128.54 161.71 28.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -113.41 -32.51 6.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.2 t -134.12 -163.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.049 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -66.93 -28.65 68.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 ptp180 -152.62 66.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 111.139 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.57 26.72 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.691 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.441 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 5.2 m -118.0 -34.37 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 58.67 25.9 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.355 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.441 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.8 m-30 -89.99 167.37 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.61 -52.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.509 HD12 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.0 10.83 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.697 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.509 ' CD2' HD12 ' A' ' 16' ' ' ILE . 10.0 m0 -150.01 87.98 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -125.32 -15.77 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.663 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.13 98.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.322 . . . . 0.0 110.62 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.7 m -90.01 133.2 34.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 111.513 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -105.05 -159.4 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.586 179.205 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.58 84.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 66.31 26.88 72.7 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.335 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -132.74 169.44 16.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.064 0.459 . . . . 0.0 111.651 -179.694 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.0 t -132.53 132.54 42.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.356 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -154.3 -178.72 7.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -87.11 -34.52 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.892 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.841 0.353 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.454 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -96.55 -168.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.05 59.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.489 ' O ' ' N ' ' A' ' 25' ' ' CYS . 7.8 mt -80.06 123.51 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.17 122.67 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.513 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -144.47 166.8 24.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -105.64 -70.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 49.1 p -81.45 -176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.08 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -17.04 62.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -157.77 60.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 111.299 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -99.98 28.43 4.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.31 179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.6 m -114.02 -29.68 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.949 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.28 29.1 17.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.344 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 31.2 m-85 -90.11 164.49 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.43 -56.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.15 17.55 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.505 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.454 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 12.5 m0 -146.08 87.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -120.56 -14.49 8.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.615 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.9 t -90.07 98.53 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.585 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.059 0.457 . . . . 0.0 111.623 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -101.29 -160.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.582 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -51.02 88.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.861 0.362 . . . . 0.0 110.765 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.22 21.08 52.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.468 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -128.13 164.98 21.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.959 0.409 . . . . 0.0 111.531 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -122.92 132.73 54.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.427 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 24.8 p30 -160.04 170.8 20.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 0.0 111.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 tt -79.96 -36.53 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.167 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.47 ' CD2' ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tp -127.64 112.65 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.9 95.47 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.568 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 2.2 mt -79.96 -172.42 3.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.01 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.71 128.89 37.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.1 t -147.66 157.81 43.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -125.22 -38.28 2.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.955 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -109.23 -160.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 m -75.05 -30.7 61.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.742 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.0 -19.66 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.445 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.3 m -79.76 -29.91 40.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.717 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 52.94 25.33 3.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.425 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.445 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 21.0 m-85 -90.06 171.41 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.818 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 26.9 pt -88.95 -40.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.481 HD11 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.23 0.99 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.568 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.481 ' CD2' HD11 ' A' ' 16' ' ' ILE . 11.6 m0 -147.33 86.22 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.767 0.318 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 t -117.54 -20.01 9.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.31 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.673 0.273 . . . . 0.0 110.417 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 11.4 m -87.89 133.02 34.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 111.942 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' GLY . 6.4 ttt180 -111.74 -151.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.66 87.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.966 0.412 . . . . 0.0 111.665 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.04 30.49 38.17 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.276 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.568 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 29.5 p -142.43 162.59 35.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.978 0.389 . . . . 0.0 111.651 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 9.7 p -117.28 126.64 53.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 4.8 p-10 -139.07 -177.6 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.93 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.52 -43.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.946 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.402 ' NE2' ' CB ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.765 0.316 . . . . 0.0 111.186 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.468 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -130.95 131.05 44.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 91.67 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 25' ' ' CYS . 3.0 mt -102.8 138.82 39.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -48.46 123.01 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.8 t -125.69 162.14 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -110.32 -32.26 7.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.373 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 t -139.28 -162.99 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.5 p -61.04 -32.14 71.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.091 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.56 66.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.89 26.69 4.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 4.7 m -111.97 -28.38 8.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 59.83 19.41 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.452 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.1 m-30 -90.19 161.37 15.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 pp -89.67 -39.17 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.496 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.18 0.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.589 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.496 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.6 m0 -147.26 87.6 1.67 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -120.92 -18.03 7.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.655 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.1 t -90.12 98.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.506 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 57.2 m -90.13 135.26 33.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 111.648 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 5.0 ttt85 -106.08 -158.63 0.67 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.569 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.71 83.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 110.582 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.32 25.53 73.62 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.296 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -129.71 168.62 16.23 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.012 0.434 . . . . 0.0 111.624 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.5 t -133.22 127.93 34.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.374 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' CB ' ' NE2' ' A' ' 1' ' ' GLN . 3.9 p-10 -148.92 175.38 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.427 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 4.2 tt -80.02 -44.18 22.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.244 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.857 -179.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.487 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -79.96 134.21 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.89 85.86 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 25' ' ' CYS . 7.9 mt -94.83 126.96 40.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.899 0.38 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.41 126.09 24.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 p -142.43 166.85 23.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -104.74 -51.28 3.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.935 0.398 . . . . 0.0 111.151 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.11 179.03 4.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.022 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 m -60.8 -17.79 51.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -156.25 61.55 0.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.775 0.321 . . . . 0.0 111.247 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.3 27.78 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.1 m -116.2 -30.78 5.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 64.03 22.54 12.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -90.13 158.53 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.784 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 pt -90.05 -39.76 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.49 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.39 6.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 179.138 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.49 ' CE3' ' CD1' ' A' ' 16' ' ' ILE . 9.7 m0 -148.03 87.83 1.63 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.854 0.359 . . . . 0.0 110.586 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -120.27 -17.41 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.626 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 t -90.14 101.12 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.1 m -88.18 125.08 34.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.03 0.443 . . . . 0.0 111.646 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -96.24 -157.5 0.59 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.568 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.81 88.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 110.563 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.17 21.89 57.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.18 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.491 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -124.5 165.96 16.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.976 0.417 . . . . 0.0 111.531 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -124.68 130.64 52.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.097 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -152.94 175.5 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -81.69 -34.5 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.91 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.435 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -108.29 -173.19 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.787 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 25' ' ' CYS . 6.7 mt -80.01 117.32 20.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.446 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.26 127.88 11.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.546 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 p -143.3 172.62 12.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -108.93 -67.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 p -84.93 -178.11 6.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.5 p -60.46 -19.74 57.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.73 62.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.61 31.99 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.078 0.466 . . . . 0.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.18 -35.9 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.752 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 t30 67.47 17.42 10.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.239 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.1 165.17 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -90.52 -46.99 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.415 HD13 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.11 11.76 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.47 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.435 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 12.0 m0 -146.26 86.05 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -120.36 -13.48 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.804 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.12 104.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.32 . . . . 0.0 110.812 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -89.6 125.92 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 111.669 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -104.15 -160.43 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.162 178.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.39 87.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.21 16.05 40.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.866 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.68 165.74 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 111.213 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' LEU . 42.9 t -132.07 127.99 37.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.428 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 11.5 p30 -154.32 -177.95 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -80.57 -34.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.938 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.466 ' CD2' ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -116.81 118.88 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.87 98.57 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.775 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.564 ' O ' ' HA ' ' A' ' 24' ' ' CYS . 14.3 mt -79.72 -171.67 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.95 124.49 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.425 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 49.2 t -145.31 157.48 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -122.18 -35.92 3.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.209 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.2 t -112.94 -158.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.987 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -76.45 -27.48 56.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.083 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.68 67.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 111.004 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -98.26 32.65 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -124.01 -41.58 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.899 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 66.47 24.89 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.295 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CD1' ' HB2' ' A' ' 12' ' ' CYS . 23.4 m-85 -90.05 166.88 13.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.804 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 16' ' ' ILE . 18.6 pt -89.43 -46.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.529 HD11 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.2 7.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.547 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.529 ' CD2' HD11 ' A' ' 16' ' ' ILE . 11.1 m0 -151.92 90.34 1.53 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.0 p -124.46 -17.68 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.854 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 t -90.46 101.82 12.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.68 0.276 . . . . 0.0 110.556 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.8 m -83.88 131.18 34.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.207 0.527 . . . . 0.0 111.77 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.8 ttt85 -112.13 -152.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.448 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.12 87.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.77 21.83 16.8 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.301 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 27.3 p -133.24 168.08 19.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.102 0.451 . . . . 0.0 111.754 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.4 t -119.99 125.3 48.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -136.69 -173.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt -88.15 -35.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.928 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.808 0.337 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.452 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -80.01 -175.88 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -159.99 63.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 25' ' ' CYS . 10.1 mt -79.94 133.56 36.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.3 mt -46.52 121.12 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.222 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 52.6 t -137.04 156.66 48.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -119.86 -39.69 2.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 p -105.25 -155.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.686 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -84.31 -25.9 28.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.667 0.27 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 mtt85 -147.86 71.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.88 24.88 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.443 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.0 m -110.14 -40.63 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 71.87 7.86 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.33 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 11.1 m-85 -90.25 168.02 12.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.37 -37.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.421 HD12 ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.14 1.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.328 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.452 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 13.7 m0 -145.32 84.78 1.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 111.063 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -125.19 -11.04 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.799 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.22 102.28 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.15 127.11 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.042 0.449 . . . . 0.0 111.451 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -107.92 -159.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 179.156 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.72 89.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 111.325 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 18.45 35.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.906 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -128.36 168.05 16.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.48 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 2.1 t -135.93 130.43 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.763 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -160.04 -176.56 5.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.667 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.0 tp -79.8 -30.13 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.836 0.35 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.432 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -102.98 -172.48 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.04 61.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 25' ' ' CYS . 6.2 mt -80.35 125.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.6 mp -51.23 121.63 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.543 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.35 167.61 22.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -105.74 -69.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 111.133 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 p -80.23 -174.2 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.138 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -67.06 -14.08 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.36 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.8 60.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.62 27.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.354 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.463 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 2.8 m -114.27 -30.21 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.888 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 m120 61.65 28.85 17.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.519 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.463 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 31.5 m-85 -90.13 166.43 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -89.93 -54.85 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.418 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.21 17.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.39 179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.432 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 10.6 m0 -147.82 88.05 1.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.3 p -121.39 -14.97 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.76 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.4 t -90.18 101.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -89.63 126.52 35.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.011 0.434 . . . . 0.0 111.684 -179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -102.89 -158.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.527 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.42 87.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.809 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.21 22.28 49.6 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.497 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -127.54 161.25 29.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.921 0.391 . . . . 0.0 111.54 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -120.58 136.29 54.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.06 173.47 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -80.01 -32.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.253 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.966 -179.934 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.409 ' NE2' ' CB ' ' A' ' 26' ' ' ASN . 5.8 pt20 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.832 0.349 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.421 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -80.0 124.5 28.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' CA ' ' HB2' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -120.94 94.45 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.055 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.464 ' CD1' ' CE3' ' A' ' 17' ' ' TRP . 42.1 mt -88.6 114.83 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.511 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mt -37.95 120.27 0.84 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.1 p -140.08 171.68 13.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -107.05 -67.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 0.0 111.18 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 81.7 p -85.63 -175.94 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.95 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -18.79 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -158.26 65.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.62 27.04 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 10.1 m -116.78 -31.36 5.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.959 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 59.24 25.99 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.188 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.427 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.4 m-30 -90.08 158.2 17.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 pt -90.05 -36.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 4.7 tp -89.0 -5.28 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.464 ' CE3' ' CD1' ' A' ' 4' ' ' LEU . 6.1 m-90 -149.5 89.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.536 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 -20.56 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.732 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.18 117.21 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.596 0.236 . . . . 0.0 110.562 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.431 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -90.07 128.0 36.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.095 0.474 . . . . 0.0 111.612 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.94 -154.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.136 178.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.26 87.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 111.406 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.85 22.73 19.98 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.948 -0.569 . . . . 0.0 113.054 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 2.1 p -137.06 175.51 9.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.135 0.493 . . . . 0.0 111.93 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -114.03 149.61 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.516 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' CB ' ' NE2' ' A' ' 1' ' ' GLN . 1.8 p-10 -160.0 173.22 16.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.993 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.1 tp -80.0 -32.1 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.12 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.912 179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.41 HD11 ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -101.36 -167.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.717 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.53 76.09 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 111.236 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 25' ' ' CYS . 88.2 mt -92.31 102.95 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.452 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pp -32.74 120.54 0.33 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.9 172.81 13.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.526 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -113.86 -68.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -79.99 -169.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.7 m -69.27 -16.62 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.316 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -159.97 53.15 0.34 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 111.402 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.05 -9.16 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.594 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.543 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 3.6 p -79.72 -34.52 39.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.612 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 52.71 40.01 29.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.582 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.543 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 12.0 m-85 -90.06 -176.93 5.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.827 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mt -90.05 -66.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.425 HD11 ' CH2' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -90.26 24.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.684 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.443 ' CD2' ' CD1' ' A' ' 4' ' ' LEU . 5.3 m-90 -147.08 89.08 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.491 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -116.75 -16.74 10.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.775 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 109.37 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -89.48 126.6 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.55 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -104.69 -159.54 0.72 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.332 178.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.38 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 57.9 22.92 49.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.73 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 m -133.62 167.05 21.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 4' ' ' LEU . 10.6 t -131.8 129.96 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -147.99 -173.51 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.416 ' HB ' ' O ' ' A' ' 16' ' ' ILE . 2.5 tt -79.64 -44.51 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.383 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.847 0.356 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.432 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -105.12 -176.26 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.08 61.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 25' ' ' CYS . 10.9 mt -79.93 117.11 20.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.592 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -46.63 115.54 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 2.3 p -133.61 -177.16 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -126.51 -64.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.6 t -79.92 -165.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.4 p -71.92 -26.74 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.3 ptt85 -147.27 75.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.038 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -85.78 -17.75 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.85 -43.29 22.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.982 0.42 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 71.48 21.94 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.387 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -90.14 175.88 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.32 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.434 HD13 HG21 ' A' ' 15' ' ' ILE . 21.9 pt -90.29 -45.1 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.739 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.423 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.28 10.95 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.271 179.579 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 26' ' ' ASN . 12.5 m0 -148.45 86.76 1.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.723 0.297 . . . . 0.0 111.018 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -126.74 -12.3 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.932 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.6 t -90.26 104.8 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.079 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -88.53 123.91 33.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.459 . . . . 0.0 111.451 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt180 -103.11 -160.98 0.81 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.292 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -50.49 89.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.928 0.394 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.97 18.16 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.781 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -127.91 164.3 22.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -132.26 124.42 28.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.442 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -153.22 -176.42 5.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 8.9 tp -79.97 -37.45 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.96 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.426 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -79.97 136.45 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -125.07 94.95 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 25' ' ' CYS . 9.9 mt -99.99 139.66 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tp -48.57 122.07 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 t -134.91 160.78 37.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -116.96 -38.18 3.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.418 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.9 t -124.18 -164.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -63.44 -28.48 70.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.53 57.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -79.8 -18.32 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.618 179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.523 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 4.2 p -79.72 -39.07 31.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 m120 54.87 40.67 32.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.644 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.523 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 14.7 m-85 -90.1 175.71 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -87.62 -54.48 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.094 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 16' ' ' ILE . 3.2 tp -90.12 13.9 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.544 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.434 ' CD1' ' O ' ' A' ' 16' ' ' ILE . 5.2 m-90 -156.05 92.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 0.0 110.675 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 t -120.52 -17.63 8.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.814 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.3 t -90.08 102.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.792 0.33 . . . . 0.0 110.566 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.6 m -89.62 136.06 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.52 . . . . 0.0 111.9 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.3 ttm-85 -108.33 -156.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.613 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.71 86.99 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 62.02 29.53 72.9 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.616 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -136.85 169.72 17.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.996 0.427 . . . . 0.0 111.573 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.499 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 31.1 t -133.18 124.3 27.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.955 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -144.16 -176.59 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.985 0.421 . . . . 0.0 111.578 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -89.12 -34.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.105 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.875 -179.931 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -105.6 -168.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.02 58.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' ' 25' ' ' CYS . 8.0 mt -80.01 124.94 29.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.76 121.74 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.508 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 p -142.58 165.76 26.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.755 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.59 -70.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 111.035 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -82.28 -179.03 7.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.074 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.52 -19.3 56.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.269 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -155.55 60.67 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.809 0.338 . . . . 0.0 111.273 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -102.78 30.95 4.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.22 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.455 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.8 m -114.17 -25.98 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.032 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.49 22.14 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.455 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 23.3 m-85 -90.19 156.8 18.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.71 0.29 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.451 HD12 HG21 ' A' ' 15' ' ' ILE . 24.7 pt -90.06 -45.26 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.427 ' N ' HG13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.21 11.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.449 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 12.0 m0 -146.12 87.63 1.76 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.999 0.428 . . . . 0.0 110.535 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.02 -15.07 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.64 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.8 t -89.96 98.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -84.4 125.63 32.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.06 0.457 . . . . 0.0 111.608 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt-85 -102.25 -159.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.68 87.75 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.62 20.48 46.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.47 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -126.33 164.33 21.28 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 111.567 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -123.23 132.51 54.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.415 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 26.5 p30 -160.03 170.27 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.4 tt -79.96 -40.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.129 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.796 0.331 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.43 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -128.59 -172.45 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' CYS . 6.4 mt -79.86 115.27 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.549 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -45.14 128.68 7.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.745 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.95 171.75 14.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.8 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -108.49 -68.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.5 p -83.29 -177.55 6.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -17.99 60.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.379 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.65 66.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.31 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -105.69 32.86 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.021 0.439 . . . . 0.0 110.338 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -114.39 -29.62 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.84 -179.572 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.45 18.98 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.422 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 30.3 m-85 -90.17 161.58 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.3 tt -90.22 -46.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.425 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.17 11.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.43 ' CZ2' ' HG ' ' A' ' 2' ' ' LEU . 11.0 m0 -145.94 85.86 1.7 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 0.0 110.782 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 p -118.86 -14.03 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.8 t -90.17 104.25 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -88.73 125.37 34.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.693 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.8 mmt180 -103.52 -159.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.258 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.64 88.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.36 17.45 39.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.807 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.92 164.43 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.438 ' N ' ' O ' ' A' ' 4' ' ' LEU . 42.9 t -130.19 126.31 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.415 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -151.21 -176.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -79.88 -33.2 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.846 0.355 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.425 ' HG ' ' CE2' ' A' ' 17' ' ' TRP . 1.4 mm? -105.89 -173.53 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.07 67.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' CYS . 9.0 mt -86.34 126.52 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.739 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.73 120.57 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.414 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 p -141.72 170.56 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -108.72 -68.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.175 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -82.37 -177.71 6.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.113 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -61.63 -17.8 56.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.388 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.65 64.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 111.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -98.39 24.63 7.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.968 0.413 . . . . 0.0 110.422 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.8 m -114.5 -26.19 8.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.037 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t30 56.52 22.8 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.364 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 18.1 m-30 -90.08 157.0 17.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mm -87.99 -43.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.418 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 3.1 tp -85.02 2.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.255 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.437 ' CD2' HD13 ' A' ' 4' ' ' LEU . 5.5 m-90 -151.3 90.35 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.974 0.416 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.9 -18.35 8.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.695 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.0 t -88.05 107.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.515 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -88.93 126.25 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.078 0.466 . . . . 0.0 111.759 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -102.43 -158.48 0.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.473 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.3 87.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.741 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 20.28 42.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.448 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -126.4 166.44 17.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.93 0.395 . . . . 0.0 111.62 -179.558 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -121.4 135.89 55.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.238 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -151.51 172.77 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.408 . . . . 0.0 111.38 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.8 tp -79.97 -33.14 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.838 -179.93 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.822 0.344 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.446 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -133.81 130.12 37.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.49 90.36 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.6 mt -99.09 139.48 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -49.13 122.37 5.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.287 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 26.7 t -133.74 158.78 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.972 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -118.02 -36.65 3.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.217 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 t -116.86 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.99 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.5 m -75.81 -27.3 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -147.0 66.93 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -98.83 32.87 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.14 -37.85 3.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.91 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m120 64.73 15.5 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.384 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -90.19 169.06 11.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.758 0.313 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.0 tt -89.64 -47.3 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.565 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.21 10.41 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 179.68 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TRP . . . . . 0.565 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.2 m0 -149.62 85.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 110.724 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -127.22 -13.65 5.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 t -90.05 100.86 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 18.0 m -90.06 130.33 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 111.596 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.5 ttt85 -105.58 -158.11 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.699 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.373 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.79 26.56 65.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.575 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.64 171.53 14.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 111.459 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.533 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 36.6 t -135.07 134.18 40.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.304 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -154.38 -172.77 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.41 -31.62 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.918 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.45 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.13 61.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 25' ' ' CYS . 2.3 mt -82.2 141.0 33.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.637 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -48.99 117.97 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.326 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 t -129.97 159.02 37.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -107.57 -52.51 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.409 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.937 HG22 ' HB2' ' A' ' 11' ' ' ASP . 14.4 t -112.8 -163.65 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.175 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -66.28 -27.78 68.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.805 ' H ' HG23 ' A' ' 8' ' ' THR . 6.1 ptm180 -152.18 64.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.191 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.937 ' HB2' HG22 ' A' ' 8' ' ' THR . 39.1 t70 -98.98 26.83 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.45 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.4 m -115.23 -32.99 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 57.86 27.65 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.45 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.9 m-30 -90.09 171.71 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.775 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -87.97 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.564 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.18 17.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.564 ' CE3' HD11 ' A' ' 16' ' ' ILE . 11.7 m0 -149.33 87.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.822 0.344 . . . . 0.0 110.763 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.79 -14.71 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.754 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG11 ' O ' ' A' ' 28' ' ' SER . 25.6 t -90.25 98.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.657 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 33.6 m -90.08 129.2 36.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.452 . . . . 0.0 111.444 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.1 ttp180 -103.56 -158.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.47 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.52 87.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.739 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 61.55 25.54 65.39 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.358 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -130.16 167.78 17.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 111.596 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 4' ' ' LEU . 2.3 t -130.98 134.6 46.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.437 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -159.98 174.34 14.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.01 -33.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.467 ' O ' HG11 ' A' ' 19' ' ' VAL . 32.4 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.461 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.868 0.366 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.07 64.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.761 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.69 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.6 mt -79.92 139.22 37.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -45.91 120.78 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.663 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 11.3 t -133.82 161.18 35.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.724 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.15 -36.89 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.304 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -125.17 -164.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.064 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -64.54 -26.33 68.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -158.87 51.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.92 -14.3 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.525 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 6.2 p -79.71 -37.19 36.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.641 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 55.13 45.94 25.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.608 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CD1' ' HB2' ' A' ' 12' ' ' CYS . 14.1 m-85 -90.08 -177.26 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.716 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -65.44 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.815 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 ' CZ3' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -90.35 20.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.408 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.69 ' CE3' HD11 ' A' ' 4' ' ' LEU . 6.2 m0 -147.02 87.92 1.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -17.76 11.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.453 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -90.19 101.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.735 0.302 . . . . 0.0 110.795 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.11 134.45 34.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 0.0 111.517 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.92 -159.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.782 179.343 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.96 84.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.853 0.358 . . . . 0.0 110.705 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.5 26.9 73.55 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.345 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.21 168.47 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.01 0.433 . . . . 0.0 111.571 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 32.4 t -138.19 121.02 16.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.149 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 17.1 p30 -144.91 -174.77 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.398 . . . . 0.0 111.227 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -79.8 -34.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.901 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.864 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 100.15 13.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.802 HD23 HD11 ' A' ' 2' ' ' LEU . 8.1 mt -79.74 -170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.225 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.54 122.71 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.697 0.284 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 13.8 t -141.73 159.12 42.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.302 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.03 -36.48 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -117.59 -163.93 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 m -70.21 -27.64 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -153.15 63.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.999 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -96.15 25.86 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -120.13 -23.1 6.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.62 28.4 0.78 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.731 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 18' ' ' THR . 22.0 m-85 -90.12 166.58 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.489 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -90.16 -47.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.236 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 17' ' ' TRP . 2.7 tp -88.1 7.52 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.864 ' CZ2' HD23 ' A' ' 2' ' ' LEU . 5.6 m-90 -154.71 92.25 1.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 0.0 110.707 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 14' ' ' TYR . 18.5 p -123.4 -15.66 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.43 101.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 110.629 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.4 m -90.19 133.61 34.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.169 0.509 . . . . 0.0 111.834 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.9 mtt-85 -117.32 -149.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.406 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 87.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.914 0.387 . . . . 0.0 111.709 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 50.07 25.05 7.23 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.383 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 28.7 p -134.73 164.75 26.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.777 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.3 t -119.68 128.91 54.25 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -143.1 -177.44 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.566 HD13 HD12 ' A' ' 16' ' ' ILE . 9.1 tp -86.32 -36.07 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.938 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.466 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.75 90.73 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.4 mt -100.33 138.75 36.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.77 122.87 6.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -128.54 161.71 28.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -113.41 -32.51 6.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.879 HG22 ' HB2' ' A' ' 11' ' ' ASP . 15.2 t -134.12 -163.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.049 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -66.93 -28.65 68.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.736 ' H ' HG23 ' A' ' 8' ' ' THR . 7.3 ptp180 -152.62 66.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.879 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.9 t70 -98.57 26.72 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.691 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 5.2 m -118.0 -34.37 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 58.67 25.9 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.355 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.8 m-30 -89.99 167.37 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.61 -52.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.699 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.0 10.83 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.697 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.699 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.0 m0 -150.01 87.98 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -125.32 -15.77 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.663 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.13 98.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.322 . . . . 0.0 110.62 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.7 m -90.01 133.2 34.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 111.513 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -105.05 -159.4 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.586 179.205 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.58 84.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 66.31 26.88 72.7 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.335 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -132.74 169.44 16.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.064 0.459 . . . . 0.0 111.651 -179.694 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.0 t -132.53 132.54 42.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.356 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -154.3 -178.72 7.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.475 HD13 ' HA ' ' A' ' 16' ' ' ILE . 9.3 tp -87.11 -34.52 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.892 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.463 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.352 . . . . 0.0 110.827 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.05 59.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.738 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.8 mt -80.06 123.51 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.17 122.67 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.513 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -144.47 166.8 24.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -105.64 -70.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.71 HG23 ' OD1' ' A' ' 11' ' ' ASP . 49.1 p -81.45 -176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.08 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -17.04 62.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -157.77 60.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 111.299 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.71 ' OD1' HG23 ' A' ' 8' ' ' THR . 2.1 m-20 -99.98 28.43 4.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.31 179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.6 m -114.02 -29.68 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.949 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.28 29.1 17.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.344 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.486 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 31.2 m-85 -90.11 164.49 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.461 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -88.43 -56.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.15 17.55 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.505 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.738 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.5 m0 -146.08 87.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -120.56 -14.49 8.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.615 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.587 HG11 ' CB ' ' A' ' 28' ' ' SER . 21.9 t -90.07 98.53 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.585 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.059 0.457 . . . . 0.0 111.623 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -101.29 -160.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.582 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -51.02 88.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.861 0.362 . . . . 0.0 110.765 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.22 21.08 52.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.468 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -128.13 164.98 21.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.959 0.409 . . . . 0.0 111.531 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -122.92 132.73 54.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 24.8 p30 -160.04 170.8 20.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 0.0 111.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.406 ' O ' HG21 ' A' ' 19' ' ' VAL . 3.4 tt -79.96 -36.53 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.167 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.587 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.83 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.857 0.36 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.635 ' N ' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -99.9 95.47 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.878 HD11 ' CE3' ' A' ' 17' ' ' TRP . 2.2 mt -79.96 -172.42 3.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.01 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.71 128.89 37.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.1 t -147.66 157.81 43.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -125.22 -38.28 2.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.955 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -109.23 -160.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 m -75.05 -30.7 61.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.742 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.0 -19.66 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.3 m -79.76 -29.91 40.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.717 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 52.94 25.33 3.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.425 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 21.0 m-85 -90.06 171.41 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.818 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 16' ' ' ILE . 26.9 pt -88.95 -40.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.708 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.23 0.99 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.568 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.878 ' CE3' HD11 ' A' ' 4' ' ' LEU . 11.6 m0 -147.33 86.22 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.767 0.318 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 t -117.54 -20.01 9.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.31 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.673 0.273 . . . . 0.0 110.417 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 11.4 m -87.89 133.02 34.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 111.942 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' GLY . 6.4 ttt180 -111.74 -151.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.66 87.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.966 0.412 . . . . 0.0 111.665 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.04 30.49 38.17 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.276 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 29.5 p -142.43 162.59 35.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.978 0.389 . . . . 0.0 111.651 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.651 ' SG ' HD12 ' A' ' 4' ' ' LEU . 9.7 p -117.28 126.64 53.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 4.8 p-10 -139.07 -177.6 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.93 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 28' ' ' SER . 1.3 tp -83.52 -43.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 27' ' ' ILE . 12.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.476 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.778 0.323 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 91.67 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.524 HD11 ' CE3' ' A' ' 17' ' ' TRP . 3.0 mt -102.8 138.82 39.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 5' ' ' LEU . 4.4 mm? -48.46 123.01 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.8 t -125.69 162.14 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -110.32 -32.26 7.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.373 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.878 HG22 ' HB2' ' A' ' 11' ' ' ASP . 15.1 t -139.28 -162.99 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.5 p -61.04 -32.14 71.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.091 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.716 ' H ' HG23 ' A' ' 8' ' ' THR . 0.1 OUTLIER -156.56 66.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 111.143 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.878 ' HB2' HG22 ' A' ' 8' ' ' THR . 0.6 OUTLIER -96.89 26.69 4.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 4.7 m -111.97 -28.38 8.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 59.83 19.41 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.452 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.1 m-30 -90.19 161.37 15.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 HG23 ' A' ' 16' ' ' ILE . 2.6 pp -89.67 -39.17 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.745 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.18 0.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.589 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.745 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.6 m0 -147.26 87.6 1.67 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -120.92 -18.03 7.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.655 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 27' ' ' ILE . 34.1 t -90.12 98.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.506 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 57.2 m -90.13 135.26 33.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 111.648 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 5.0 ttt85 -106.08 -158.63 0.67 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.569 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.71 83.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 110.582 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.32 25.53 73.62 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.296 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -129.71 168.62 16.23 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.012 0.434 . . . . 0.0 111.624 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.5 t -133.22 127.93 34.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.374 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -148.92 175.38 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 28' ' ' SER . 4.2 tt -80.02 -44.18 22.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.244 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.49 ' N ' HG23 ' A' ' 27' ' ' ILE . 3.0 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.491 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.766 0.317 . . . . 0.0 110.683 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.89 85.86 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.68 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.9 mt -94.83 126.96 40.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.899 0.38 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.41 126.09 24.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 p -142.43 166.85 23.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -104.74 -51.28 3.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.935 0.398 . . . . 0.0 111.151 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -100.11 179.03 4.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.022 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.515 ' H ' HG22 ' A' ' 8' ' ' THR . 3.2 m -60.8 -17.79 51.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -156.25 61.55 0.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.775 0.321 . . . . 0.0 111.247 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.3 27.78 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.1 m -116.2 -30.78 5.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 64.03 22.54 12.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -90.13 158.53 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.784 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 pt -90.05 -39.76 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.674 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.39 6.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 179.138 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.68 ' CE3' HD11 ' A' ' 4' ' ' LEU . 9.7 m0 -148.03 87.83 1.63 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.854 0.359 . . . . 0.0 110.586 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -120.27 -17.41 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.626 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 t -90.14 101.12 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.1 m -88.18 125.08 34.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.03 0.443 . . . . 0.0 111.646 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -96.24 -157.5 0.59 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.568 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.81 88.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 110.563 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.17 21.89 57.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.18 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -124.5 165.96 16.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.976 0.417 . . . . 0.0 111.531 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -124.68 130.64 52.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.097 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -152.94 175.5 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -81.69 -34.5 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.91 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.443 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.787 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.7 mt -80.01 117.32 20.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.446 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.26 127.88 11.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.546 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 p -143.3 172.62 12.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -108.93 -67.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 p -84.93 -178.11 6.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.5 p -60.46 -19.74 57.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.73 62.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.61 31.99 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.078 0.466 . . . . 0.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.18 -35.9 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.752 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 t30 67.47 17.42 10.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.239 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.1 165.17 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.412 ' H ' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.52 -46.99 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.621 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.11 11.76 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.47 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.0 m0 -146.26 86.05 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -120.36 -13.48 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.804 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.825 HG11 ' OXT' ' A' ' 28' ' ' SER . 21.2 t -90.12 104.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.32 . . . . 0.0 110.812 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -89.6 125.92 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 111.669 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -104.15 -160.43 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.162 178.69 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.39 87.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.21 16.05 40.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.866 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.68 165.74 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 111.213 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' LEU . 42.9 t -132.07 127.99 37.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 11.5 p30 -154.32 -177.95 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -80.57 -34.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.825 ' OXT' HG11 ' A' ' 19' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.867 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.886 0.374 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.762 ' N ' HD12 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -103.87 98.57 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.775 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.812 HD11 ' CE3' ' A' ' 17' ' ' TRP . 14.3 mt -79.72 -171.67 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.95 124.49 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 49.2 t -145.31 157.48 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -122.18 -35.92 3.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.209 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.828 HG22 ' HB2' ' A' ' 11' ' ' ASP . 13.2 t -112.94 -158.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.987 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -76.45 -27.48 56.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.083 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.73 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -152.68 67.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 111.004 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.828 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.2 t0 -98.26 32.65 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -124.01 -41.58 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.899 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 66.47 24.89 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.295 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 18' ' ' THR . 23.4 m-85 -90.05 166.88 13.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.804 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 16' ' ' ILE . 18.6 pt -89.43 -46.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.697 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.2 7.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.547 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.867 ' CZ2' HD23 ' A' ' 2' ' ' LEU . 11.1 m0 -151.92 90.34 1.53 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 14' ' ' TYR . 17.0 p -124.46 -17.68 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.854 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 t -90.46 101.82 12.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.68 0.276 . . . . 0.0 110.556 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.8 m -83.88 131.18 34.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.207 0.527 . . . . 0.0 111.77 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.8 ttt85 -112.13 -152.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.448 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.12 87.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.77 21.83 16.8 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.301 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 27.3 p -133.24 168.08 19.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.102 0.451 . . . . 0.0 111.754 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.4 t -119.99 125.3 48.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -136.69 -173.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt -88.15 -35.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.928 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.458 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.808 0.337 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -159.99 63.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.47 HD11 ' CE3' ' A' ' 17' ' ' TRP . 10.1 mt -79.94 133.56 36.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.3 mt -46.52 121.12 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.222 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 52.6 t -137.04 156.66 48.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -119.86 -39.69 2.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 p -105.25 -155.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.686 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -84.31 -25.9 28.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.667 0.27 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 mtt85 -147.86 71.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.88 24.88 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.0 m -110.14 -40.63 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.87 7.86 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.33 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 11.1 m-85 -90.25 168.02 12.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.37 -37.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.573 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.14 1.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.328 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.573 ' CE3' HD11 ' A' ' 16' ' ' ILE . 13.7 m0 -145.32 84.78 1.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 111.063 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -125.19 -11.04 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.799 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 27' ' ' ILE . 21.6 t -90.22 102.28 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.15 127.11 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.042 0.449 . . . . 0.0 111.451 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -107.92 -159.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 179.156 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.72 89.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 111.325 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 18.45 35.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.906 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HB2' ' HG3' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -128.36 168.05 16.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 2.1 t -135.93 130.43 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.763 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 1.8 p30 -160.04 -176.56 5.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.667 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.479 ' O ' HG21 ' A' ' 19' ' ' VAL . 9.0 tp -79.8 -30.13 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.44 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.04 61.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.59 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.2 mt -80.35 125.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.44 HD12 ' H ' ' A' ' 5' ' ' LEU . 5.6 mp -51.23 121.63 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.543 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.35 167.61 22.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -105.74 -69.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 111.133 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.572 HG23 ' OD1' ' A' ' 11' ' ' ASP . 14.5 p -80.23 -174.2 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.138 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -67.06 -14.08 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.36 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.8 60.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.572 ' OD1' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -99.62 27.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.354 179.371 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.49 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 2.8 m -114.27 -30.21 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.888 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 m120 61.65 28.85 17.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.519 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 31.5 m-85 -90.13 166.43 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -89.93 -54.85 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.599 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.21 17.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.39 179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.599 ' CE3' HD11 ' A' ' 16' ' ' ILE . 10.6 m0 -147.82 88.05 1.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.3 p -121.39 -14.97 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.76 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.605 HG11 ' OXT' ' A' ' 28' ' ' SER . 24.4 t -90.18 101.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -89.63 126.52 35.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.011 0.434 . . . . 0.0 111.684 -179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -102.89 -158.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.527 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.42 87.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.809 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.21 22.28 49.6 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.497 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -127.54 161.25 29.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.921 0.391 . . . . 0.0 111.54 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -120.58 136.29 54.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.06 173.47 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -80.01 -32.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.253 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.605 ' OXT' HG11 ' A' ' 19' ' ' VAL . 2.1 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.966 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.427 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.76 0.314 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.407 ' CA ' ' HB2' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -120.94 94.45 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.055 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 17' ' ' TRP . 42.1 mt -88.6 114.83 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.511 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mt -37.95 120.27 0.84 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.1 p -140.08 171.68 13.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -107.05 -67.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 0.0 111.18 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.597 HG23 ' OD1' ' A' ' 11' ' ' ASP . 81.7 p -85.63 -175.94 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.95 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -18.79 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -158.26 65.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.597 ' OD1' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -98.62 27.04 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.503 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 10.1 m -116.78 -31.36 5.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.959 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 59.24 25.99 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.188 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.4 m-30 -90.08 158.2 17.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 pt -90.05 -36.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.596 HG23 ' CD2' ' A' ' 17' ' ' TRP . 4.7 tp -89.0 -5.28 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 4' ' ' LEU . 6.1 m-90 -149.5 89.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.536 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 -20.56 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.732 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 28' ' ' SER . 21.6 t -90.18 117.21 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.596 0.236 . . . . 0.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -90.07 128.0 36.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.095 0.474 . . . . 0.0 111.612 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.94 -154.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.136 178.752 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.26 87.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 111.406 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.85 22.73 19.98 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.948 -0.569 . . . . 0.0 113.054 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 2.1 p -137.06 175.51 9.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.135 0.493 . . . . 0.0 111.93 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -114.03 149.61 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.516 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -160.0 173.22 16.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.993 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.424 HD13 HD12 ' A' ' 16' ' ' ILE . 9.1 tp -80.0 -32.1 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.12 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.483 ' HA ' HG21 ' A' ' 19' ' ' VAL . 9.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.6 HD13 ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.744 0.307 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.53 76.09 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 111.236 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 17' ' ' TRP . 88.2 mt -92.31 102.95 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.452 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.6 pp -32.74 120.54 0.33 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.9 172.81 13.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.526 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -113.86 -68.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -79.99 -169.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.7 m -69.27 -16.62 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.316 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -159.97 53.15 0.34 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 111.402 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.05 -9.16 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.594 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 3.6 p -79.72 -34.52 39.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.612 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 52.71 40.01 29.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.582 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 12.0 m-85 -90.06 -176.93 5.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.827 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mt -90.05 -66.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.623 HD11 ' CH2' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -90.26 24.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.684 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.623 ' CH2' HD11 ' A' ' 16' ' ' ILE . 5.3 m-90 -147.08 89.08 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.491 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -116.75 -16.74 10.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.775 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 109.37 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -89.48 126.6 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.55 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -104.69 -159.54 0.72 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.332 178.784 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.38 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 57.9 22.92 49.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.73 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 m -133.62 167.05 21.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 10.6 t -131.8 129.96 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -147.99 -173.51 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 28' ' ' SER . 2.5 tt -79.64 -44.51 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.383 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.496 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.435 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.801 0.334 . . . . 0.0 110.812 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.08 61.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.73 HD12 ' SG ' ' A' ' 25' ' ' CYS . 10.9 mt -79.93 117.11 20.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.592 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -46.63 115.54 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 11' ' ' ASP . 2.3 p -133.61 -177.16 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -126.51 -64.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.687 HG23 ' H ' ' A' ' 10' ' ' ARG . 11.6 t -79.92 -165.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.4 p -71.92 -26.74 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.687 ' H ' HG23 ' A' ' 8' ' ' THR . 18.3 ptt85 -147.27 75.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' CB ' ' HB2' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -85.78 -17.75 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.795 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.85 -43.29 22.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.982 0.42 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.48 21.94 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.387 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -90.14 175.88 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.32 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.71 HG13 HG23 ' A' ' 16' ' ' ILE . 21.9 pt -90.29 -45.1 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.739 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.71 HG23 HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.28 10.95 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.271 179.579 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.581 ' CE3' HD11 ' A' ' 16' ' ' ILE . 12.5 m0 -148.45 86.76 1.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.723 0.297 . . . . 0.0 111.018 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -126.74 -12.3 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.932 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.611 HG11 ' CB ' ' A' ' 28' ' ' SER . 24.6 t -90.26 104.8 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.079 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -88.53 123.91 33.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.459 . . . . 0.0 111.451 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt180 -103.11 -160.98 0.81 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.292 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -50.49 89.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.928 0.394 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.97 18.16 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.781 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -127.91 164.3 22.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.73 ' SG ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -132.26 124.42 28.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 2.0 p30 -153.22 -176.42 5.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.416 ' O ' HG21 ' A' ' 19' ' ' VAL . 8.9 tp -79.97 -37.45 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.611 ' CB ' HG11 ' A' ' 19' ' ' VAL . 1.1 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.539 HD12 ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -125.07 94.95 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 2' ' ' LEU . 9.9 mt -99.99 139.66 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tp -48.57 122.07 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 t -134.91 160.78 37.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -116.96 -38.18 3.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.418 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.948 HG22 ' HB2' ' A' ' 11' ' ' ASP . 14.9 t -124.18 -164.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -63.44 -28.48 70.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.772 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -156.53 57.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.948 ' HB2' HG22 ' A' ' 8' ' ' THR . 33.8 t70 -79.8 -18.32 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.618 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 4.2 p -79.72 -39.07 31.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 m120 54.87 40.67 32.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.644 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 14.7 m-85 -90.1 175.71 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -87.62 -54.48 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.094 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.721 HG23 ' CD2' ' A' ' 17' ' ' TRP . 3.2 tp -90.12 13.9 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.544 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.721 ' CD2' HG23 ' A' ' 16' ' ' ILE . 5.2 m-90 -156.05 92.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 0.0 110.675 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 t -120.52 -17.63 8.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.814 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 28' ' ' SER . 39.3 t -90.08 102.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.792 0.33 . . . . 0.0 110.566 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.6 m -89.62 136.06 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.52 . . . . 0.0 111.9 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.3 ttm-85 -108.33 -156.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.613 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.71 86.99 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 62.02 29.53 72.9 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.616 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -136.85 169.72 17.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.996 0.427 . . . . 0.0 111.573 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 31.1 t -133.18 124.3 27.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.955 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -144.16 -176.59 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.985 0.421 . . . . 0.0 111.578 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.66 HD13 HD12 ' A' ' 16' ' ' ILE . 9.2 tp -89.12 -34.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.8 ' HB3' HG21 ' A' ' 19' ' ' VAL . 12.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.458 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.821 0.343 . . . . 0.0 110.836 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.02 58.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.721 HD11 ' CE3' ' A' ' 17' ' ' TRP . 8.0 mt -80.01 124.94 29.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.76 121.74 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.508 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 p -142.58 165.76 26.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.755 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.59 -70.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 111.035 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -82.28 -179.03 7.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.074 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.52 -19.3 56.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.269 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -155.55 60.67 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.809 0.338 . . . . 0.0 111.273 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -102.78 30.95 4.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.22 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.8 m -114.17 -25.98 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.032 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.49 22.14 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 23.3 m-85 -90.19 156.8 18.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.71 0.29 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.726 HG13 HG23 ' A' ' 16' ' ' ILE . 24.7 pt -90.06 -45.26 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.726 HG23 HG13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.21 11.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.721 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.0 m0 -146.12 87.63 1.76 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.999 0.428 . . . . 0.0 110.535 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.02 -15.07 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.64 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 28' ' ' SER . 24.8 t -89.96 98.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -84.4 125.63 32.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.06 0.457 . . . . 0.0 111.608 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt-85 -102.25 -159.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.68 87.75 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.62 20.48 46.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.47 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -126.33 164.33 21.28 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 111.567 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -123.23 132.51 54.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.415 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 26.5 p30 -160.03 170.27 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 28' ' ' SER . 5.4 tt -79.96 -40.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 19' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.438 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.676 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.4 mt -79.86 115.27 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.549 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -45.14 128.68 7.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.745 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.95 171.75 14.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.8 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -108.49 -68.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.5 p -83.29 -177.55 6.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -17.99 60.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.379 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.65 66.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.31 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -105.69 32.86 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.021 0.439 . . . . 0.0 110.338 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -114.39 -29.62 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.84 -179.572 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.45 18.98 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 30.3 m-85 -90.17 161.58 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 16' ' ' ILE . 3.3 tt -90.22 -46.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.17 11.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.676 ' CE3' HD11 ' A' ' 4' ' ' LEU . 11.0 m0 -145.94 85.86 1.7 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 0.0 110.782 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 p -118.86 -14.03 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.8 t -90.17 104.25 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -88.73 125.37 34.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.693 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.8 mmt180 -103.52 -159.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.258 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.64 88.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.36 17.45 39.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.807 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.92 164.43 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 42.9 t -130.19 126.31 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.428 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -151.21 -176.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -79.88 -33.2 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.436 ' HG ' ' CE2' ' A' ' 17' ' ' TRP . 1.4 mm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.07 67.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' CYS . 9.0 mt -86.34 126.52 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.739 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.73 120.57 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.414 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 p -141.72 170.56 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -108.72 -68.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.175 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -82.37 -177.71 6.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.113 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -61.63 -17.8 56.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.388 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.65 64.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 111.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -98.39 24.63 7.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.968 0.413 . . . . 0.0 110.422 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.8 m -114.5 -26.19 8.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.037 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t30 56.52 22.8 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.364 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 18.1 m-30 -90.08 157.0 17.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mm -87.99 -43.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.669 HG23 ' CD2' ' A' ' 17' ' ' TRP . 3.1 tp -85.02 2.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.255 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.669 ' CD2' HG23 ' A' ' 16' ' ' ILE . 5.5 m-90 -151.3 90.35 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.974 0.416 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.9 -18.35 8.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.695 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.534 HG21 ' HA ' ' A' ' 28' ' ' SER . 31.0 t -88.05 107.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.515 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -88.93 126.25 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.078 0.466 . . . . 0.0 111.759 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -102.43 -158.48 0.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.473 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.3 87.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.741 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 20.28 42.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.448 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -126.4 166.44 17.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.93 0.395 . . . . 0.0 111.62 -179.558 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -121.4 135.89 55.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.238 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -151.51 172.77 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.408 . . . . 0.0 111.38 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.62 HD13 HD12 ' A' ' 16' ' ' ILE . 7.8 tp -79.97 -33.14 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.534 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.838 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.474 HD23 ' HZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.49 90.36 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.6 mt -99.09 139.48 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 6' ' ' CYS . 1.8 tt -49.13 122.37 5.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.287 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.44 ' N ' HD23 ' A' ' 5' ' ' LEU . 26.7 t -133.74 158.78 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.972 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -118.02 -36.65 3.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.217 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.837 HG22 ' HB2' ' A' ' 11' ' ' ASP . 12.9 t -116.86 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.99 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.5 m -75.81 -27.3 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.683 ' H ' HG23 ' A' ' 8' ' ' THR . 4.3 ptp180 -147.0 66.93 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.837 ' HB2' HG22 ' A' ' 8' ' ' THR . 5.9 t70 -98.83 32.87 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.14 -37.85 3.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.91 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m120 64.73 15.5 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.384 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -90.19 169.06 11.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.758 0.313 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 16' ' ' ILE . 6.0 tt -89.64 -47.3 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.21 10.41 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 179.68 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TRP . . . . . 0.695 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.2 m0 -149.62 85.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 110.724 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -127.22 -13.65 5.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 t -90.05 100.86 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 18.0 m -90.06 130.33 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 111.596 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.5 ttt85 -105.58 -158.11 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.699 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.373 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.79 26.56 65.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.575 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.64 171.53 14.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 111.459 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 36.6 t -135.07 134.18 40.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.304 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -154.38 -172.77 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.41 -31.62 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.918 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.827 0.346 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.45 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -131.32 176.48 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.13 61.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 25' ' ' CYS . 2.3 mt -82.2 141.0 33.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.637 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -48.99 117.97 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.326 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 t -129.97 159.02 37.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -107.57 -52.51 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.409 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.937 HG22 ' HB2' ' A' ' 11' ' ' ASP . 14.4 t -112.8 -163.65 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.175 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -66.28 -27.78 68.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.805 ' H ' HG23 ' A' ' 8' ' ' THR . 6.1 ptm180 -152.18 64.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.191 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.937 ' HB2' HG22 ' A' ' 8' ' ' THR . 39.1 t70 -98.98 26.83 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.4 m -115.23 -32.99 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 57.86 27.65 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.45 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.9 m-30 -90.09 171.71 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.775 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -87.97 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.564 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.18 17.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.564 ' CE3' HD11 ' A' ' 16' ' ' ILE . 11.7 m0 -149.33 87.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.822 0.344 . . . . 0.0 110.763 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.79 -14.71 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.754 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG11 ' O ' ' A' ' 28' ' ' SER . 25.6 t -90.25 98.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.657 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 33.6 m -90.08 129.2 36.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.452 . . . . 0.0 111.444 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.1 ttp180 -103.56 -158.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.47 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.52 87.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.739 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 61.55 25.54 65.39 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.358 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -130.16 167.78 17.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 111.596 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 4' ' ' LEU . 2.3 t -130.98 134.6 46.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.437 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -159.98 174.34 14.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.01 -33.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.467 ' O ' HG11 ' A' ' 19' ' ' VAL . 32.4 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.653 ' O ' HD22 ' A' ' 2' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.653 HD22 ' O ' ' A' ' 1' ' ' GLN . 0.9 OUTLIER -139.64 177.2 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.07 64.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.761 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.69 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.6 mt -79.92 139.22 37.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -45.91 120.78 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.663 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 11.3 t -133.82 161.18 35.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.724 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.15 -36.89 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.304 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -125.17 -164.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.064 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -64.54 -26.33 68.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -158.87 51.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.92 -14.3 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.525 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 6.2 p -79.71 -37.19 36.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.641 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 55.13 45.94 25.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.608 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CD1' ' HB2' ' A' ' 12' ' ' CYS . 14.1 m-85 -90.08 -177.26 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.716 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -65.44 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.815 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 ' CZ3' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -90.35 20.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.408 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.69 ' CE3' HD11 ' A' ' 4' ' ' LEU . 6.2 m0 -147.02 87.92 1.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -17.76 11.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.453 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -90.19 101.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.735 0.302 . . . . 0.0 110.795 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.11 134.45 34.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 0.0 111.517 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.92 -159.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.782 179.343 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.96 84.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.853 0.358 . . . . 0.0 110.705 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.5 26.9 73.55 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.345 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.21 168.47 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.01 0.433 . . . . 0.0 111.571 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 32.4 t -138.19 121.02 16.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.149 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 17.1 p30 -144.91 -174.77 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.398 . . . . 0.0 111.227 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -79.8 -34.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.901 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.836 0.35 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.864 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -160.03 91.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 100.15 13.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.802 HD23 HD11 ' A' ' 2' ' ' LEU . 8.1 mt -79.74 -170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.225 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.54 122.71 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.697 0.284 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 13.8 t -141.73 159.12 42.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.302 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.03 -36.48 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -117.59 -163.93 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 m -70.21 -27.64 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -153.15 63.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.999 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -96.15 25.86 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -120.13 -23.1 6.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 46.62 28.4 0.78 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.731 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 18' ' ' THR . 22.0 m-85 -90.12 166.58 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.489 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -90.16 -47.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.236 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 17' ' ' TRP . 2.7 tp -88.1 7.52 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.864 ' CZ2' HD23 ' A' ' 2' ' ' LEU . 5.6 m-90 -154.71 92.25 1.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 0.0 110.707 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 14' ' ' TYR . 18.5 p -123.4 -15.66 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.43 101.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 110.629 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.4 m -90.19 133.61 34.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.169 0.509 . . . . 0.0 111.834 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.9 mtt-85 -117.32 -149.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.406 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 87.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.914 0.387 . . . . 0.0 111.709 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 50.07 25.05 7.23 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.383 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 28.7 p -134.73 164.75 26.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.777 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.3 t -119.68 128.91 54.25 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -143.1 -177.44 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.566 HD13 HD12 ' A' ' 16' ' ' ILE . 9.1 tp -86.32 -36.07 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.938 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.466 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -132.81 132.37 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.75 90.73 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.4 mt -100.33 138.75 36.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.77 122.87 6.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -128.54 161.71 28.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -113.41 -32.51 6.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.879 HG22 ' HB2' ' A' ' 11' ' ' ASP . 15.2 t -134.12 -163.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.049 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -66.93 -28.65 68.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.736 ' H ' HG23 ' A' ' 8' ' ' THR . 7.3 ptp180 -152.62 66.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.879 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.9 t70 -98.57 26.72 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.691 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 5.2 m -118.0 -34.37 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 58.67 25.9 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.355 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.8 m-30 -89.99 167.37 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.61 -52.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.699 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.0 10.83 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.697 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.699 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.0 m0 -150.01 87.98 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -125.32 -15.77 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.663 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.13 98.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.322 . . . . 0.0 110.62 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.7 m -90.01 133.2 34.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 111.513 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -105.05 -159.4 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.586 179.205 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.58 84.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 66.31 26.88 72.7 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.335 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -132.74 169.44 16.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.064 0.459 . . . . 0.0 111.651 -179.694 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.0 t -132.53 132.54 42.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.356 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -154.3 -178.72 7.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.475 HD13 ' HA ' ' A' ' 16' ' ' ILE . 9.3 tp -87.11 -34.52 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.892 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.841 0.353 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.463 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -96.55 -168.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.05 59.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.738 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.8 mt -80.06 123.51 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.17 122.67 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.513 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -144.47 166.8 24.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -105.64 -70.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.71 HG23 ' OD1' ' A' ' 11' ' ' ASP . 49.1 p -81.45 -176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.08 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -17.04 62.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -157.77 60.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 111.299 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.71 ' OD1' HG23 ' A' ' 8' ' ' THR . 2.1 m-20 -99.98 28.43 4.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.31 179.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.6 m -114.02 -29.68 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.949 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.28 29.1 17.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.344 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.486 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 31.2 m-85 -90.11 164.49 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.461 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -88.43 -56.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.15 17.55 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.505 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.738 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.5 m0 -146.08 87.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -120.56 -14.49 8.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.615 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.587 HG11 ' CB ' ' A' ' 28' ' ' SER . 21.9 t -90.07 98.53 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.585 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.059 0.457 . . . . 0.0 111.623 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -101.29 -160.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.582 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -51.02 88.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.861 0.362 . . . . 0.0 110.765 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.22 21.08 52.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.468 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -128.13 164.98 21.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.959 0.409 . . . . 0.0 111.531 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -122.92 132.73 54.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 24.8 p30 -160.04 170.8 20.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 0.0 111.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.406 ' O ' HG21 ' A' ' 19' ' ' VAL . 3.4 tt -79.96 -36.53 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.167 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.587 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.83 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tp -127.64 112.65 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.635 ' N ' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -99.9 95.47 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.878 HD11 ' CE3' ' A' ' 17' ' ' TRP . 2.2 mt -79.96 -172.42 3.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.01 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.71 128.89 37.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.1 t -147.66 157.81 43.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -125.22 -38.28 2.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.955 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -109.23 -160.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 m -75.05 -30.7 61.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.742 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.0 -19.66 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.3 m -79.76 -29.91 40.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.717 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 52.94 25.33 3.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.425 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 21.0 m-85 -90.06 171.41 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.818 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 16' ' ' ILE . 26.9 pt -88.95 -40.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.708 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.23 0.99 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.568 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.878 ' CE3' HD11 ' A' ' 4' ' ' LEU . 11.6 m0 -147.33 86.22 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.767 0.318 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 t -117.54 -20.01 9.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.31 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.673 0.273 . . . . 0.0 110.417 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 11.4 m -87.89 133.02 34.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 111.942 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' GLY . 6.4 ttt180 -111.74 -151.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.66 87.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.966 0.412 . . . . 0.0 111.665 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.04 30.49 38.17 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.276 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 29.5 p -142.43 162.59 35.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.978 0.389 . . . . 0.0 111.651 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.651 ' SG ' HD12 ' A' ' 4' ' ' LEU . 9.7 p -117.28 126.64 53.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 4.8 p-10 -139.07 -177.6 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.93 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 28' ' ' SER . 1.3 tp -83.52 -43.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 27' ' ' ILE . 12.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.468 HE21 ' HB3' ' A' ' 1' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.765 0.316 . . . . 0.0 111.186 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.476 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -130.95 131.05 44.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 91.67 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.524 HD11 ' CE3' ' A' ' 17' ' ' TRP . 3.0 mt -102.8 138.82 39.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 5' ' ' LEU . 4.4 mm? -48.46 123.01 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.8 t -125.69 162.14 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -110.32 -32.26 7.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.373 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.878 HG22 ' HB2' ' A' ' 11' ' ' ASP . 15.1 t -139.28 -162.99 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.5 p -61.04 -32.14 71.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.091 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.716 ' H ' HG23 ' A' ' 8' ' ' THR . 0.1 OUTLIER -156.56 66.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 111.143 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.878 ' HB2' HG22 ' A' ' 8' ' ' THR . 0.6 OUTLIER -96.89 26.69 4.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 4.7 m -111.97 -28.38 8.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 59.83 19.41 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.452 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.1 m-30 -90.19 161.37 15.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 HG23 ' A' ' 16' ' ' ILE . 2.6 pp -89.67 -39.17 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.745 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.18 0.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.589 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.745 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.6 m0 -147.26 87.6 1.67 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -120.92 -18.03 7.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.655 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.459 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 34.1 t -90.12 98.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.506 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 57.2 m -90.13 135.26 33.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 111.648 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 5.0 ttt85 -106.08 -158.63 0.67 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.569 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.71 83.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 110.582 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.32 25.53 73.62 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.296 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -129.71 168.62 16.23 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.012 0.434 . . . . 0.0 111.624 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.5 t -133.22 127.93 34.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.374 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.459 ' ND2' ' O ' ' A' ' 19' ' ' VAL . 4.0 p30 -148.92 175.38 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 28' ' ' SER . 4.2 tt -80.02 -44.18 22.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.244 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.49 ' N ' HG23 ' A' ' 27' ' ' ILE . 3.0 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.491 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -79.96 134.21 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.89 85.86 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.68 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.9 mt -94.83 126.96 40.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.899 0.38 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.41 126.09 24.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 p -142.43 166.85 23.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -104.74 -51.28 3.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.935 0.398 . . . . 0.0 111.151 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -100.11 179.03 4.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.022 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.515 ' H ' HG22 ' A' ' 8' ' ' THR . 3.2 m -60.8 -17.79 51.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -156.25 61.55 0.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.775 0.321 . . . . 0.0 111.247 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.3 27.78 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.1 m -116.2 -30.78 5.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 64.03 22.54 12.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -90.13 158.53 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.784 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 pt -90.05 -39.76 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.674 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.39 6.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 179.138 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.68 ' CE3' HD11 ' A' ' 4' ' ' LEU . 9.7 m0 -148.03 87.83 1.63 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.854 0.359 . . . . 0.0 110.586 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -120.27 -17.41 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.626 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 t -90.14 101.12 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.1 m -88.18 125.08 34.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.03 0.443 . . . . 0.0 111.646 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -96.24 -157.5 0.59 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.568 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.81 88.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 110.563 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.17 21.89 57.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.18 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -124.5 165.96 16.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.976 0.417 . . . . 0.0 111.531 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -124.68 130.64 52.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.097 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -152.94 175.5 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -81.69 -34.5 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.91 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -108.29 -173.19 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.787 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.7 mt -80.01 117.32 20.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.446 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.26 127.88 11.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.546 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 p -143.3 172.62 12.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -108.93 -67.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 p -84.93 -178.11 6.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.5 p -60.46 -19.74 57.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.73 62.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.61 31.99 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.078 0.466 . . . . 0.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.18 -35.9 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.752 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 t30 67.47 17.42 10.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.239 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.1 165.17 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' H ' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.52 -46.99 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.621 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.11 11.76 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.47 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.0 m0 -146.26 86.05 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -120.36 -13.48 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.804 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.825 HG11 ' OXT' ' A' ' 28' ' ' SER . 21.2 t -90.12 104.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.32 . . . . 0.0 110.812 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -89.6 125.92 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 111.669 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -104.15 -160.43 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.162 178.69 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.39 87.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.21 16.05 40.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.866 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.68 165.74 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 111.213 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' LEU . 42.9 t -132.07 127.99 37.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 11.5 p30 -154.32 -177.95 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -80.57 -34.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.825 ' OXT' HG11 ' A' ' 19' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.867 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -116.81 118.88 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.762 ' N ' HD12 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -103.87 98.57 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.775 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.812 HD11 ' CE3' ' A' ' 17' ' ' TRP . 14.3 mt -79.72 -171.67 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.95 124.49 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 49.2 t -145.31 157.48 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -122.18 -35.92 3.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.209 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.828 HG22 ' HB2' ' A' ' 11' ' ' ASP . 13.2 t -112.94 -158.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.987 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -76.45 -27.48 56.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.083 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.73 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -152.68 67.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 111.004 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.828 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.2 t0 -98.26 32.65 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -124.01 -41.58 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.899 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 66.47 24.89 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.295 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 18' ' ' THR . 23.4 m-85 -90.05 166.88 13.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.804 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 16' ' ' ILE . 18.6 pt -89.43 -46.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.697 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.2 7.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.547 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.867 ' CZ2' HD23 ' A' ' 2' ' ' LEU . 11.1 m0 -151.92 90.34 1.53 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 14' ' ' TYR . 17.0 p -124.46 -17.68 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.854 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 t -90.46 101.82 12.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.68 0.276 . . . . 0.0 110.556 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.8 m -83.88 131.18 34.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.207 0.527 . . . . 0.0 111.77 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.8 ttt85 -112.13 -152.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.448 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.12 87.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.77 21.83 16.8 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.301 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 27.3 p -133.24 168.08 19.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.102 0.451 . . . . 0.0 111.754 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.4 t -119.99 125.3 48.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -136.69 -173.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt -88.15 -35.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.928 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.808 0.337 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.458 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -80.01 -175.88 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -159.99 63.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.47 HD11 ' CE3' ' A' ' 17' ' ' TRP . 10.1 mt -79.94 133.56 36.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.3 mt -46.52 121.12 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.222 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 52.6 t -137.04 156.66 48.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -119.86 -39.69 2.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 p -105.25 -155.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.686 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -84.31 -25.9 28.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.667 0.27 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 mtt85 -147.86 71.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.88 24.88 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.0 m -110.14 -40.63 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 71.87 7.86 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.33 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 11.1 m-85 -90.25 168.02 12.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.37 -37.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.573 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.14 1.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.328 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.573 ' CE3' HD11 ' A' ' 16' ' ' ILE . 13.7 m0 -145.32 84.78 1.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 111.063 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -125.19 -11.04 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.799 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 27' ' ' ILE . 21.6 t -90.22 102.28 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.15 127.11 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.042 0.449 . . . . 0.0 111.451 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -107.92 -159.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 179.156 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.72 89.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 111.325 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 18.45 35.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.906 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HB2' ' HG3' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -128.36 168.05 16.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 2.1 t -135.93 130.43 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.763 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 1.8 p30 -160.04 -176.56 5.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.667 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.479 ' O ' HG21 ' A' ' 19' ' ' VAL . 9.0 tp -79.8 -30.13 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.836 0.35 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.44 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -102.98 -172.48 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.04 61.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.59 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.2 mt -80.35 125.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.44 HD12 ' H ' ' A' ' 5' ' ' LEU . 5.6 mp -51.23 121.63 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.543 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.35 167.61 22.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -105.74 -69.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 111.133 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.572 HG23 ' OD1' ' A' ' 11' ' ' ASP . 14.5 p -80.23 -174.2 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.138 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -67.06 -14.08 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.36 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.8 60.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.572 ' OD1' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -99.62 27.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.354 179.371 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.49 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 2.8 m -114.27 -30.21 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.888 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 m120 61.65 28.85 17.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.519 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 31.5 m-85 -90.13 166.43 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -89.93 -54.85 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.599 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.21 17.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.39 179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.599 ' CE3' HD11 ' A' ' 16' ' ' ILE . 10.6 m0 -147.82 88.05 1.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.3 p -121.39 -14.97 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.76 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.605 HG11 ' OXT' ' A' ' 28' ' ' SER . 24.4 t -90.18 101.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -89.63 126.52 35.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.011 0.434 . . . . 0.0 111.684 -179.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -102.89 -158.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.527 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.42 87.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.809 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.21 22.28 49.6 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.497 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -127.54 161.25 29.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.921 0.391 . . . . 0.0 111.54 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -120.58 136.29 54.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.06 173.47 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -80.01 -32.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.253 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.605 ' OXT' HG11 ' A' ' 19' ' ' VAL . 2.1 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.966 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.832 0.349 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.427 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -80.0 124.5 28.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' CA ' ' HB2' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -120.94 94.45 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.055 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 17' ' ' TRP . 42.1 mt -88.6 114.83 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.511 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mt -37.95 120.27 0.84 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.1 p -140.08 171.68 13.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -107.05 -67.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 0.0 111.18 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.597 HG23 ' OD1' ' A' ' 11' ' ' ASP . 81.7 p -85.63 -175.94 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.95 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -18.79 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -158.26 65.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.597 ' OD1' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -98.62 27.04 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.503 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 10.1 m -116.78 -31.36 5.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.959 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 59.24 25.99 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.188 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.4 m-30 -90.08 158.2 17.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 pt -90.05 -36.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.596 HG23 ' CD2' ' A' ' 17' ' ' TRP . 4.7 tp -89.0 -5.28 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 4' ' ' LEU . 6.1 m-90 -149.5 89.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.536 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 -20.56 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.732 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 28' ' ' SER . 21.6 t -90.18 117.21 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.596 0.236 . . . . 0.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -90.07 128.0 36.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.095 0.474 . . . . 0.0 111.612 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.94 -154.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.136 178.752 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.26 87.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 111.406 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.85 22.73 19.98 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.948 -0.569 . . . . 0.0 113.054 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 2.1 p -137.06 175.51 9.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.135 0.493 . . . . 0.0 111.93 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -114.03 149.61 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.516 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -160.0 173.22 16.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.993 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.424 HD13 HD12 ' A' ' 16' ' ' ILE . 9.1 tp -80.0 -32.1 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.12 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.483 ' HA ' HG21 ' A' ' 19' ' ' VAL . 9.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.6 HD13 ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -101.36 -167.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.717 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.53 76.09 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 111.236 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 17' ' ' TRP . 88.2 mt -92.31 102.95 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.452 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.6 pp -32.74 120.54 0.33 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.9 172.81 13.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.526 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -113.86 -68.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -79.99 -169.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.7 m -69.27 -16.62 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.316 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -159.97 53.15 0.34 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 111.402 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.05 -9.16 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.594 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 3.6 p -79.72 -34.52 39.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.612 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 52.71 40.01 29.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.582 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 12.0 m-85 -90.06 -176.93 5.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.827 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mt -90.05 -66.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.623 HD11 ' CH2' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -90.26 24.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.684 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.623 ' CH2' HD11 ' A' ' 16' ' ' ILE . 5.3 m-90 -147.08 89.08 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.491 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -116.75 -16.74 10.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.775 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 109.37 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -89.48 126.6 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.55 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -104.69 -159.54 0.72 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.332 178.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.38 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 57.9 22.92 49.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.73 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 m -133.62 167.05 21.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 10.6 t -131.8 129.96 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -147.99 -173.51 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 28' ' ' SER . 2.5 tt -79.64 -44.51 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.383 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.496 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.847 0.356 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.435 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -105.12 -176.26 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.08 61.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.73 HD12 ' SG ' ' A' ' 25' ' ' CYS . 10.9 mt -79.93 117.11 20.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.592 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -46.63 115.54 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 11' ' ' ASP . 2.3 p -133.61 -177.16 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -126.51 -64.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.687 HG23 ' H ' ' A' ' 10' ' ' ARG . 11.6 t -79.92 -165.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.4 p -71.92 -26.74 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.687 ' H ' HG23 ' A' ' 8' ' ' THR . 18.3 ptt85 -147.27 75.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' CB ' ' HB2' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -85.78 -17.75 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.795 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.85 -43.29 22.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.982 0.42 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 71.48 21.94 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.387 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -90.14 175.88 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.32 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.71 HG13 HG23 ' A' ' 16' ' ' ILE . 21.9 pt -90.29 -45.1 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.739 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.71 HG23 HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.28 10.95 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.271 179.579 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.581 ' CE3' HD11 ' A' ' 16' ' ' ILE . 12.5 m0 -148.45 86.76 1.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.723 0.297 . . . . 0.0 111.018 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -126.74 -12.3 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.932 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.611 HG11 ' CB ' ' A' ' 28' ' ' SER . 24.6 t -90.26 104.8 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.079 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -88.53 123.91 33.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.459 . . . . 0.0 111.451 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt180 -103.11 -160.98 0.81 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.292 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -50.49 89.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.928 0.394 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.97 18.16 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.781 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -127.91 164.3 22.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.73 ' SG ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -132.26 124.42 28.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 2.0 p30 -153.22 -176.42 5.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.416 ' O ' HG21 ' A' ' 19' ' ' VAL . 8.9 tp -79.97 -37.45 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.611 ' CB ' HG11 ' A' ' 19' ' ' VAL . 1.1 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.539 HD12 ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.97 136.45 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -125.07 94.95 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 2' ' ' LEU . 9.9 mt -99.99 139.66 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tp -48.57 122.07 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 t -134.91 160.78 37.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -116.96 -38.18 3.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.418 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.948 HG22 ' HB2' ' A' ' 11' ' ' ASP . 14.9 t -124.18 -164.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -63.44 -28.48 70.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.772 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -156.53 57.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.948 ' HB2' HG22 ' A' ' 8' ' ' THR . 33.8 t70 -79.8 -18.32 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.618 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 4.2 p -79.72 -39.07 31.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 m120 54.87 40.67 32.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.644 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 14.7 m-85 -90.1 175.71 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -87.62 -54.48 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.094 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.721 HG23 ' CD2' ' A' ' 17' ' ' TRP . 3.2 tp -90.12 13.9 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.544 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.721 ' CD2' HG23 ' A' ' 16' ' ' ILE . 5.2 m-90 -156.05 92.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 0.0 110.675 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 t -120.52 -17.63 8.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.814 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 28' ' ' SER . 39.3 t -90.08 102.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.792 0.33 . . . . 0.0 110.566 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.6 m -89.62 136.06 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.52 . . . . 0.0 111.9 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.3 ttm-85 -108.33 -156.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.613 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.71 86.99 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 62.02 29.53 72.9 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.616 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -136.85 169.72 17.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.996 0.427 . . . . 0.0 111.573 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 31.1 t -133.18 124.3 27.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.955 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -144.16 -176.59 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.985 0.421 . . . . 0.0 111.578 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.66 HD13 HD12 ' A' ' 16' ' ' ILE . 9.2 tp -89.12 -34.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.8 ' HB3' HG21 ' A' ' 19' ' ' VAL . 12.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.458 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -105.6 -168.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.02 58.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.721 HD11 ' CE3' ' A' ' 17' ' ' TRP . 8.0 mt -80.01 124.94 29.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.76 121.74 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.508 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 p -142.58 165.76 26.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.755 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.59 -70.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 111.035 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -82.28 -179.03 7.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.074 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.52 -19.3 56.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.269 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -155.55 60.67 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.809 0.338 . . . . 0.0 111.273 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -102.78 30.95 4.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.22 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.8 m -114.17 -25.98 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.032 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.49 22.14 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 23.3 m-85 -90.19 156.8 18.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.71 0.29 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.726 HG13 HG23 ' A' ' 16' ' ' ILE . 24.7 pt -90.06 -45.26 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.726 HG23 HG13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.21 11.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.721 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.0 m0 -146.12 87.63 1.76 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.999 0.428 . . . . 0.0 110.535 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.02 -15.07 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.64 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 28' ' ' SER . 24.8 t -89.96 98.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -84.4 125.63 32.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.06 0.457 . . . . 0.0 111.608 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt-85 -102.25 -159.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.68 87.75 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.62 20.48 46.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.47 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -126.33 164.33 21.28 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 111.567 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -123.23 132.51 54.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.415 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 26.5 p30 -160.03 170.27 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 28' ' ' SER . 5.4 tt -79.96 -40.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 19' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.796 0.331 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.438 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -128.59 -172.45 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.676 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.4 mt -79.86 115.27 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.549 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -45.14 128.68 7.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.745 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.95 171.75 14.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.8 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -108.49 -68.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.5 p -83.29 -177.55 6.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -17.99 60.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.379 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.65 66.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.31 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -105.69 32.86 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.021 0.439 . . . . 0.0 110.338 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -114.39 -29.62 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.84 -179.572 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.45 18.98 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 30.3 m-85 -90.17 161.58 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 16' ' ' ILE . 3.3 tt -90.22 -46.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.17 11.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.676 ' CE3' HD11 ' A' ' 4' ' ' LEU . 11.0 m0 -145.94 85.86 1.7 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 0.0 110.782 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 p -118.86 -14.03 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.8 t -90.17 104.25 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -88.73 125.37 34.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.693 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.8 mmt180 -103.52 -159.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.258 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.64 88.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.36 17.45 39.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.807 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.92 164.43 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 42.9 t -130.19 126.31 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.428 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -151.21 -176.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -79.88 -33.2 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.846 0.355 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.436 ' HG ' ' CE2' ' A' ' 17' ' ' TRP . 1.4 mm? -105.89 -173.53 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.07 67.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' CYS . 9.0 mt -86.34 126.52 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.739 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.73 120.57 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.414 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 p -141.72 170.56 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -108.72 -68.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.175 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -82.37 -177.71 6.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.113 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -61.63 -17.8 56.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.388 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.65 64.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 111.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -98.39 24.63 7.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.968 0.413 . . . . 0.0 110.422 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.8 m -114.5 -26.19 8.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.037 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t30 56.52 22.8 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.364 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 18.1 m-30 -90.08 157.0 17.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mm -87.99 -43.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.669 HG23 ' CD2' ' A' ' 17' ' ' TRP . 3.1 tp -85.02 2.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.255 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.669 ' CD2' HG23 ' A' ' 16' ' ' ILE . 5.5 m-90 -151.3 90.35 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.974 0.416 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.9 -18.35 8.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.695 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.534 HG21 ' HA ' ' A' ' 28' ' ' SER . 31.0 t -88.05 107.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.515 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -88.93 126.25 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.078 0.466 . . . . 0.0 111.759 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -102.43 -158.48 0.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.473 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.3 87.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.741 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 20.28 42.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.448 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -126.4 166.44 17.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.93 0.395 . . . . 0.0 111.62 -179.558 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -121.4 135.89 55.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.238 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -151.51 172.77 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.408 . . . . 0.0 111.38 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.62 HD13 HD12 ' A' ' 16' ' ' ILE . 7.8 tp -79.97 -33.14 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.534 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.838 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.822 0.344 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.474 HD23 ' HZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -133.81 130.12 37.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.49 90.36 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.6 mt -99.09 139.48 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 6' ' ' CYS . 1.8 tt -49.13 122.37 5.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.287 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' N ' HD23 ' A' ' 5' ' ' LEU . 26.7 t -133.74 158.78 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.972 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -118.02 -36.65 3.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.217 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.837 HG22 ' HB2' ' A' ' 11' ' ' ASP . 12.9 t -116.86 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.99 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.5 m -75.81 -27.3 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.683 ' H ' HG23 ' A' ' 8' ' ' THR . 4.3 ptp180 -147.0 66.93 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.837 ' HB2' HG22 ' A' ' 8' ' ' THR . 5.9 t70 -98.83 32.87 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.14 -37.85 3.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.91 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m120 64.73 15.5 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.384 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -90.19 169.06 11.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.758 0.313 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 16' ' ' ILE . 6.0 tt -89.64 -47.3 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.21 10.41 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 179.68 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TRP . . . . . 0.695 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.2 m0 -149.62 85.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 110.724 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -127.22 -13.65 5.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 t -90.05 100.86 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 18.0 m -90.06 130.33 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 111.596 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.5 ttt85 -105.58 -158.11 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.699 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.373 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.79 26.56 65.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.575 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.64 171.53 14.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 111.459 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 36.6 t -135.07 134.18 40.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.304 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -154.38 -172.77 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.41 -31.62 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.918 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.45 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.13 61.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 25' ' ' CYS . 2.3 mt -82.2 141.0 33.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.637 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -48.99 117.97 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.326 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 t -129.97 159.02 37.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -107.57 -52.51 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.409 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.937 HG22 ' HB2' ' A' ' 11' ' ' ASP . 14.4 t -112.8 -163.65 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.175 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -66.28 -27.78 68.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.805 ' H ' HG23 ' A' ' 8' ' ' THR . 6.1 ptm180 -152.18 64.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.191 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.937 ' HB2' HG22 ' A' ' 8' ' ' THR . 39.1 t70 -98.98 26.83 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.45 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.4 m -115.23 -32.99 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 57.86 27.65 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.45 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.9 m-30 -90.09 171.71 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.775 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -87.97 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.564 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.18 17.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.564 ' CE3' HD11 ' A' ' 16' ' ' ILE . 11.7 m0 -149.33 87.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.822 0.344 . . . . 0.0 110.763 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.79 -14.71 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.754 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG11 ' O ' ' A' ' 28' ' ' SER . 25.6 t -90.25 98.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.657 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 33.6 m -90.08 129.2 36.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.452 . . . . 0.0 111.444 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.1 ttp180 -103.56 -158.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.47 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.52 87.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.739 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 61.55 25.54 65.39 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.358 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -130.16 167.78 17.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 111.596 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 4' ' ' LEU . 2.3 t -130.98 134.6 46.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.437 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -159.98 174.34 14.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.01 -33.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.467 ' O ' HG11 ' A' ' 19' ' ' VAL . 32.4 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.461 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.868 0.366 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.07 64.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.761 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.69 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.6 mt -79.92 139.22 37.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -45.91 120.78 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.663 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 11.3 t -133.82 161.18 35.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.724 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.15 -36.89 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.304 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -125.17 -164.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.064 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -64.54 -26.33 68.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -158.87 51.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.92 -14.3 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.525 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 6.2 p -79.71 -37.19 36.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.641 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 55.13 45.94 25.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.608 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CD1' ' HB2' ' A' ' 12' ' ' CYS . 14.1 m-85 -90.08 -177.26 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.716 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -65.44 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.815 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 ' CZ3' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -90.35 20.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.408 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.69 ' CE3' HD11 ' A' ' 4' ' ' LEU . 6.2 m0 -147.02 87.92 1.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -17.76 11.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.453 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -90.19 101.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.735 0.302 . . . . 0.0 110.795 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.11 134.45 34.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 0.0 111.517 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.92 -159.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.782 179.343 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.96 84.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.853 0.358 . . . . 0.0 110.705 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.5 26.9 73.55 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.345 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.21 168.47 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.01 0.433 . . . . 0.0 111.571 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 32.4 t -138.19 121.02 16.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.149 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 17.1 p30 -144.91 -174.77 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.398 . . . . 0.0 111.227 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -79.8 -34.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.901 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.864 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 100.15 13.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.802 HD23 HD11 ' A' ' 2' ' ' LEU . 8.1 mt -79.74 -170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.225 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.54 122.71 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.697 0.284 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 13.8 t -141.73 159.12 42.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.302 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.03 -36.48 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -117.59 -163.93 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 m -70.21 -27.64 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -153.15 63.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.999 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -96.15 25.86 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -120.13 -23.1 6.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 p30 46.62 28.4 0.78 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.731 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 18' ' ' THR . 22.0 m-85 -90.12 166.58 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.489 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -90.16 -47.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.236 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 17' ' ' TRP . 2.7 tp -88.1 7.52 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.864 ' CZ2' HD23 ' A' ' 2' ' ' LEU . 5.6 m-90 -154.71 92.25 1.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 0.0 110.707 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 14' ' ' TYR . 18.5 p -123.4 -15.66 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.43 101.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 110.629 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.4 m -90.19 133.61 34.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.169 0.509 . . . . 0.0 111.834 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.9 mtt-85 -117.32 -149.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.406 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 87.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.914 0.387 . . . . 0.0 111.709 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 50.07 25.05 7.23 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.383 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 28.7 p -134.73 164.75 26.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.777 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.3 t -119.68 128.91 54.25 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -143.1 -177.44 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.566 HD13 HD12 ' A' ' 16' ' ' ILE . 9.1 tp -86.32 -36.07 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.938 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.466 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 0.0 110.993 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.75 90.73 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.4 mt -100.33 138.75 36.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.77 122.87 6.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -128.54 161.71 28.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -113.41 -32.51 6.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.879 HG22 ' HB2' ' A' ' 11' ' ' ASP . 15.2 t -134.12 -163.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.049 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -66.93 -28.65 68.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.736 ' H ' HG23 ' A' ' 8' ' ' THR . 7.3 ptp180 -152.62 66.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.879 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.9 t70 -98.57 26.72 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.691 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 5.2 m -118.0 -34.37 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 58.67 25.9 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.355 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.8 m-30 -89.99 167.37 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.61 -52.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.699 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.0 10.83 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.697 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.699 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.0 m0 -150.01 87.98 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -125.32 -15.77 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.663 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.13 98.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.322 . . . . 0.0 110.62 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.7 m -90.01 133.2 34.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 111.513 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -105.05 -159.4 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.586 179.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.58 84.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 66.31 26.88 72.7 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.335 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -132.74 169.44 16.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.064 0.459 . . . . 0.0 111.651 -179.694 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.0 t -132.53 132.54 42.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.356 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -154.3 -178.72 7.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.475 HD13 ' HA ' ' A' ' 16' ' ' ILE . 9.3 tp -87.11 -34.52 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.892 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.463 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.838 0.352 . . . . 0.0 110.827 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.05 59.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.738 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.8 mt -80.06 123.51 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.17 122.67 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.513 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -144.47 166.8 24.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -105.64 -70.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.71 HG23 ' OD1' ' A' ' 11' ' ' ASP . 49.1 p -81.45 -176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.08 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -17.04 62.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -157.77 60.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 111.299 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.71 ' OD1' HG23 ' A' ' 8' ' ' THR . 2.1 m-20 -99.98 28.43 4.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.31 179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.6 m -114.02 -29.68 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.949 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.28 29.1 17.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.344 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.486 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 31.2 m-85 -90.11 164.49 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.461 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -88.43 -56.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.15 17.55 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.505 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.738 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.5 m0 -146.08 87.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -120.56 -14.49 8.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.615 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.587 HG11 ' CB ' ' A' ' 28' ' ' SER . 21.9 t -90.07 98.53 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.585 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.059 0.457 . . . . 0.0 111.623 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -101.29 -160.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.582 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -51.02 88.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.861 0.362 . . . . 0.0 110.765 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.22 21.08 52.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.468 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -128.13 164.98 21.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.959 0.409 . . . . 0.0 111.531 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -122.92 132.73 54.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 24.8 p30 -160.04 170.8 20.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 0.0 111.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.406 ' O ' HG21 ' A' ' 19' ' ' VAL . 3.4 tt -79.96 -36.53 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.167 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.587 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.83 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.857 0.36 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.635 ' N ' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -99.9 95.47 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.878 HD11 ' CE3' ' A' ' 17' ' ' TRP . 2.2 mt -79.96 -172.42 3.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.01 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.71 128.89 37.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.1 t -147.66 157.81 43.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -125.22 -38.28 2.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.955 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -109.23 -160.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 m -75.05 -30.7 61.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.742 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.0 -19.66 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.3 m -79.76 -29.91 40.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.717 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 52.94 25.33 3.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.425 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 21.0 m-85 -90.06 171.41 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.818 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 16' ' ' ILE . 26.9 pt -88.95 -40.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.708 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.23 0.99 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.568 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.878 ' CE3' HD11 ' A' ' 4' ' ' LEU . 11.6 m0 -147.33 86.22 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.767 0.318 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 t -117.54 -20.01 9.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.31 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.673 0.273 . . . . 0.0 110.417 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 11.4 m -87.89 133.02 34.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 111.942 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' GLY . 6.4 ttt180 -111.74 -151.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.66 87.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.966 0.412 . . . . 0.0 111.665 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.04 30.49 38.17 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.276 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 29.5 p -142.43 162.59 35.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.978 0.389 . . . . 0.0 111.651 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.651 ' SG ' HD12 ' A' ' 4' ' ' LEU . 9.7 p -117.28 126.64 53.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 4.8 p-10 -139.07 -177.6 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.93 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 28' ' ' SER . 1.3 tp -83.52 -43.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 27' ' ' ILE . 12.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.476 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.778 0.323 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 91.67 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.524 HD11 ' CE3' ' A' ' 17' ' ' TRP . 3.0 mt -102.8 138.82 39.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 5' ' ' LEU . 4.4 mm? -48.46 123.01 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.8 t -125.69 162.14 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -110.32 -32.26 7.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.373 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.878 HG22 ' HB2' ' A' ' 11' ' ' ASP . 15.1 t -139.28 -162.99 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.5 p -61.04 -32.14 71.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.091 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.716 ' H ' HG23 ' A' ' 8' ' ' THR . 0.1 OUTLIER -156.56 66.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 111.143 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.878 ' HB2' HG22 ' A' ' 8' ' ' THR . 0.6 OUTLIER -96.89 26.69 4.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 4.7 m -111.97 -28.38 8.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 59.83 19.41 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.452 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.1 m-30 -90.19 161.37 15.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 HG23 ' A' ' 16' ' ' ILE . 2.6 pp -89.67 -39.17 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.745 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.18 0.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.589 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.745 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.6 m0 -147.26 87.6 1.67 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -120.92 -18.03 7.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.655 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 27' ' ' ILE . 34.1 t -90.12 98.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.506 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 57.2 m -90.13 135.26 33.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 111.648 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 5.0 ttt85 -106.08 -158.63 0.67 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.569 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.71 83.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 110.582 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.32 25.53 73.62 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.296 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -129.71 168.62 16.23 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.012 0.434 . . . . 0.0 111.624 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.5 t -133.22 127.93 34.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.374 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -148.92 175.38 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 28' ' ' SER . 4.2 tt -80.02 -44.18 22.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.244 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.49 ' N ' HG23 ' A' ' 27' ' ' ILE . 3.0 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.491 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.766 0.317 . . . . 0.0 110.683 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.89 85.86 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.68 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.9 mt -94.83 126.96 40.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.899 0.38 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.41 126.09 24.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 p -142.43 166.85 23.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -104.74 -51.28 3.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.935 0.398 . . . . 0.0 111.151 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -100.11 179.03 4.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.022 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.515 ' H ' HG22 ' A' ' 8' ' ' THR . 3.2 m -60.8 -17.79 51.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -156.25 61.55 0.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.775 0.321 . . . . 0.0 111.247 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.3 27.78 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.1 m -116.2 -30.78 5.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 64.03 22.54 12.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -90.13 158.53 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.784 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 pt -90.05 -39.76 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.674 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.39 6.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 179.138 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.68 ' CE3' HD11 ' A' ' 4' ' ' LEU . 9.7 m0 -148.03 87.83 1.63 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.854 0.359 . . . . 0.0 110.586 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -120.27 -17.41 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.626 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 t -90.14 101.12 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.1 m -88.18 125.08 34.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.03 0.443 . . . . 0.0 111.646 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -96.24 -157.5 0.59 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.568 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.81 88.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 110.563 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.17 21.89 57.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.18 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -124.5 165.96 16.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.976 0.417 . . . . 0.0 111.531 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -124.68 130.64 52.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.097 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -152.94 175.5 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -81.69 -34.5 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.91 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.443 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.84 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.787 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.7 mt -80.01 117.32 20.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.446 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.26 127.88 11.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.546 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 p -143.3 172.62 12.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -108.93 -67.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 p -84.93 -178.11 6.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.5 p -60.46 -19.74 57.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.73 62.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.61 31.99 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.078 0.466 . . . . 0.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.18 -35.9 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.752 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 t30 67.47 17.42 10.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.239 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.1 165.17 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.412 ' H ' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.52 -46.99 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.621 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.11 11.76 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.47 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.0 m0 -146.26 86.05 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -120.36 -13.48 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.804 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.825 HG11 ' OXT' ' A' ' 28' ' ' SER . 21.2 t -90.12 104.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.32 . . . . 0.0 110.812 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -89.6 125.92 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 111.669 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -104.15 -160.43 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.162 178.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.39 87.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.21 16.05 40.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.866 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.68 165.74 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 111.213 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' LEU . 42.9 t -132.07 127.99 37.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 11.5 p30 -154.32 -177.95 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -80.57 -34.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.825 ' OXT' HG11 ' A' ' 19' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.867 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.886 0.374 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.762 ' N ' HD12 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -103.87 98.57 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.775 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.812 HD11 ' CE3' ' A' ' 17' ' ' TRP . 14.3 mt -79.72 -171.67 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.95 124.49 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 49.2 t -145.31 157.48 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -122.18 -35.92 3.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.209 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.828 HG22 ' HB2' ' A' ' 11' ' ' ASP . 13.2 t -112.94 -158.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.987 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -76.45 -27.48 56.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.083 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.73 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -152.68 67.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 111.004 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.828 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.2 t0 -98.26 32.65 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -124.01 -41.58 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.899 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 66.47 24.89 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.295 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 18' ' ' THR . 23.4 m-85 -90.05 166.88 13.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.804 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 16' ' ' ILE . 18.6 pt -89.43 -46.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.697 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.2 7.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.547 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.867 ' CZ2' HD23 ' A' ' 2' ' ' LEU . 11.1 m0 -151.92 90.34 1.53 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 14' ' ' TYR . 17.0 p -124.46 -17.68 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.854 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 t -90.46 101.82 12.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.68 0.276 . . . . 0.0 110.556 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.8 m -83.88 131.18 34.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.207 0.527 . . . . 0.0 111.77 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.8 ttt85 -112.13 -152.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.448 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.12 87.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.77 21.83 16.8 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.301 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 27.3 p -133.24 168.08 19.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.102 0.451 . . . . 0.0 111.754 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.4 t -119.99 125.3 48.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -136.69 -173.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt -88.15 -35.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.928 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.458 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.808 0.337 . . . . 0.0 110.801 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -159.99 63.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.47 HD11 ' CE3' ' A' ' 17' ' ' TRP . 10.1 mt -79.94 133.56 36.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.3 mt -46.52 121.12 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.222 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 52.6 t -137.04 156.66 48.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -119.86 -39.69 2.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 p -105.25 -155.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.686 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -84.31 -25.9 28.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.667 0.27 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 mtt85 -147.86 71.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.88 24.88 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.0 m -110.14 -40.63 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 71.87 7.86 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.33 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 11.1 m-85 -90.25 168.02 12.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.37 -37.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.573 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.14 1.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.328 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.573 ' CE3' HD11 ' A' ' 16' ' ' ILE . 13.7 m0 -145.32 84.78 1.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 111.063 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -125.19 -11.04 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.799 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 27' ' ' ILE . 21.6 t -90.22 102.28 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.15 127.11 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.042 0.449 . . . . 0.0 111.451 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -107.92 -159.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 179.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.72 89.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 111.325 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 18.45 35.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.906 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HB2' ' HG3' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -128.36 168.05 16.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 2.1 t -135.93 130.43 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.763 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 1.8 p30 -160.04 -176.56 5.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.667 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.479 ' O ' HG21 ' A' ' 19' ' ' VAL . 9.0 tp -79.8 -30.13 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.44 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.799 0.333 . . . . 0.0 110.894 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.04 61.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.59 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.2 mt -80.35 125.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.44 HD12 ' H ' ' A' ' 5' ' ' LEU . 5.6 mp -51.23 121.63 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.543 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.35 167.61 22.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -105.74 -69.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 111.133 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.572 HG23 ' OD1' ' A' ' 11' ' ' ASP . 14.5 p -80.23 -174.2 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.138 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -67.06 -14.08 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.36 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.8 60.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.572 ' OD1' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -99.62 27.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.354 179.371 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.49 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 2.8 m -114.27 -30.21 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.888 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 m120 61.65 28.85 17.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.519 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 31.5 m-85 -90.13 166.43 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -89.93 -54.85 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.599 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.21 17.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.39 179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.599 ' CE3' HD11 ' A' ' 16' ' ' ILE . 10.6 m0 -147.82 88.05 1.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.3 p -121.39 -14.97 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.76 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.605 HG11 ' OXT' ' A' ' 28' ' ' SER . 24.4 t -90.18 101.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -89.63 126.52 35.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.011 0.434 . . . . 0.0 111.684 -179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -102.89 -158.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.527 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.42 87.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.809 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.21 22.28 49.6 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.497 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -127.54 161.25 29.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.921 0.391 . . . . 0.0 111.54 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -120.58 136.29 54.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.06 173.47 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -80.01 -32.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.253 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.605 ' OXT' HG11 ' A' ' 19' ' ' VAL . 2.1 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.966 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.427 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.76 0.314 . . . . 0.0 110.855 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.407 ' CA ' ' HB2' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -120.94 94.45 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.055 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 17' ' ' TRP . 42.1 mt -88.6 114.83 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.511 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mt -37.95 120.27 0.84 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.1 p -140.08 171.68 13.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -107.05 -67.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 0.0 111.18 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.597 HG23 ' OD1' ' A' ' 11' ' ' ASP . 81.7 p -85.63 -175.94 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.95 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -18.79 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -158.26 65.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.597 ' OD1' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -98.62 27.04 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.503 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 10.1 m -116.78 -31.36 5.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.959 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 59.24 25.99 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.188 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.4 m-30 -90.08 158.2 17.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 pt -90.05 -36.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.596 HG23 ' CD2' ' A' ' 17' ' ' TRP . 4.7 tp -89.0 -5.28 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 4' ' ' LEU . 6.1 m-90 -149.5 89.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.536 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 -20.56 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.732 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 28' ' ' SER . 21.6 t -90.18 117.21 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.596 0.236 . . . . 0.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -90.07 128.0 36.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.095 0.474 . . . . 0.0 111.612 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.94 -154.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.136 178.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.26 87.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 111.406 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.85 22.73 19.98 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.948 -0.569 . . . . 0.0 113.054 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 2.1 p -137.06 175.51 9.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.135 0.493 . . . . 0.0 111.93 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -114.03 149.61 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.516 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -160.0 173.22 16.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.993 179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.424 HD13 HD12 ' A' ' 16' ' ' ILE . 9.1 tp -80.0 -32.1 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.12 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.483 ' HA ' HG21 ' A' ' 19' ' ' VAL . 9.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.6 HD13 ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.744 0.307 . . . . 0.0 110.717 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.53 76.09 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 111.236 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 17' ' ' TRP . 88.2 mt -92.31 102.95 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.452 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.6 pp -32.74 120.54 0.33 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.9 172.81 13.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.526 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -113.86 -68.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -79.99 -169.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.7 m -69.27 -16.62 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.316 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -159.97 53.15 0.34 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 111.402 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.05 -9.16 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.594 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 3.6 p -79.72 -34.52 39.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.612 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 52.71 40.01 29.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.582 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 12.0 m-85 -90.06 -176.93 5.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.827 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mt -90.05 -66.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.623 HD11 ' CH2' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -90.26 24.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.684 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.623 ' CH2' HD11 ' A' ' 16' ' ' ILE . 5.3 m-90 -147.08 89.08 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.491 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -116.75 -16.74 10.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.775 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 109.37 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -89.48 126.6 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.55 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -104.69 -159.54 0.72 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.332 178.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.38 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 57.9 22.92 49.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.73 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 m -133.62 167.05 21.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 10.6 t -131.8 129.96 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -147.99 -173.51 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 28' ' ' SER . 2.5 tt -79.64 -44.51 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.383 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.496 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.435 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.801 0.334 . . . . 0.0 110.812 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.08 61.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.73 HD12 ' SG ' ' A' ' 25' ' ' CYS . 10.9 mt -79.93 117.11 20.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.592 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -46.63 115.54 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 11' ' ' ASP . 2.3 p -133.61 -177.16 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -126.51 -64.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.687 HG23 ' H ' ' A' ' 10' ' ' ARG . 11.6 t -79.92 -165.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.4 p -71.92 -26.74 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.687 ' H ' HG23 ' A' ' 8' ' ' THR . 18.3 ptt85 -147.27 75.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.405 ' CB ' ' HB2' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -85.78 -17.75 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.85 -43.29 22.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.982 0.42 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 71.48 21.94 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.387 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -90.14 175.88 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.32 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.71 HG13 HG23 ' A' ' 16' ' ' ILE . 21.9 pt -90.29 -45.1 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.739 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.71 HG23 HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.28 10.95 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.271 179.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.581 ' CE3' HD11 ' A' ' 16' ' ' ILE . 12.5 m0 -148.45 86.76 1.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.723 0.297 . . . . 0.0 111.018 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -126.74 -12.3 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.932 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.611 HG11 ' CB ' ' A' ' 28' ' ' SER . 24.6 t -90.26 104.8 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.079 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -88.53 123.91 33.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.459 . . . . 0.0 111.451 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt180 -103.11 -160.98 0.81 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.292 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -50.49 89.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.928 0.394 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.97 18.16 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.781 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -127.91 164.3 22.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.73 ' SG ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -132.26 124.42 28.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -153.22 -176.42 5.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.416 ' O ' HG21 ' A' ' 19' ' ' VAL . 8.9 tp -79.97 -37.45 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.611 ' CB ' HG11 ' A' ' 19' ' ' VAL . 1.1 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.539 HD12 ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.816 0.341 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -125.07 94.95 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 2' ' ' LEU . 9.9 mt -99.99 139.66 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tp -48.57 122.07 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 t -134.91 160.78 37.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -116.96 -38.18 3.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.418 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.948 HG22 ' HB2' ' A' ' 11' ' ' ASP . 14.9 t -124.18 -164.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -63.44 -28.48 70.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.772 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -156.53 57.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.948 ' HB2' HG22 ' A' ' 8' ' ' THR . 33.8 t70 -79.8 -18.32 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.618 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 4.2 p -79.72 -39.07 31.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 m120 54.87 40.67 32.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.644 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 14.7 m-85 -90.1 175.71 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -87.62 -54.48 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.094 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.721 HG23 ' CD2' ' A' ' 17' ' ' TRP . 3.2 tp -90.12 13.9 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.544 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.721 ' CD2' HG23 ' A' ' 16' ' ' ILE . 5.2 m-90 -156.05 92.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 0.0 110.675 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 t -120.52 -17.63 8.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.814 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 28' ' ' SER . 39.3 t -90.08 102.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.792 0.33 . . . . 0.0 110.566 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.6 m -89.62 136.06 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.52 . . . . 0.0 111.9 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.3 ttm-85 -108.33 -156.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.613 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.71 86.99 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 62.02 29.53 72.9 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.616 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -136.85 169.72 17.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.996 0.427 . . . . 0.0 111.573 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 31.1 t -133.18 124.3 27.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.955 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -144.16 -176.59 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.985 0.421 . . . . 0.0 111.578 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.66 HD13 HD12 ' A' ' 16' ' ' ILE . 9.2 tp -89.12 -34.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.8 ' HB3' HG21 ' A' ' 19' ' ' VAL . 12.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.458 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.821 0.343 . . . . 0.0 110.836 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.02 58.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.721 HD11 ' CE3' ' A' ' 17' ' ' TRP . 8.0 mt -80.01 124.94 29.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.76 121.74 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.508 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 p -142.58 165.76 26.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.755 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.59 -70.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 111.035 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -82.28 -179.03 7.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.074 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.52 -19.3 56.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.269 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -155.55 60.67 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.809 0.338 . . . . 0.0 111.273 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -102.78 30.95 4.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.22 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.8 m -114.17 -25.98 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.032 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.49 22.14 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 23.3 m-85 -90.19 156.8 18.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.71 0.29 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.726 HG13 HG23 ' A' ' 16' ' ' ILE . 24.7 pt -90.06 -45.26 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.726 HG23 HG13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.21 11.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.721 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.0 m0 -146.12 87.63 1.76 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.999 0.428 . . . . 0.0 110.535 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.02 -15.07 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.64 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 28' ' ' SER . 24.8 t -89.96 98.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -84.4 125.63 32.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.06 0.457 . . . . 0.0 111.608 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt-85 -102.25 -159.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.68 87.75 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.62 20.48 46.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.47 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -126.33 164.33 21.28 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 111.567 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -123.23 132.51 54.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.415 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 26.5 p30 -160.03 170.27 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 28' ' ' SER . 5.4 tt -79.96 -40.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 19' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.438 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.676 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.4 mt -79.86 115.27 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.549 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -45.14 128.68 7.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.745 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.95 171.75 14.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.8 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -108.49 -68.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.5 p -83.29 -177.55 6.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -17.99 60.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.379 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.65 66.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.31 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -105.69 32.86 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.021 0.439 . . . . 0.0 110.338 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -114.39 -29.62 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.84 -179.572 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.45 18.98 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 30.3 m-85 -90.17 161.58 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 16' ' ' ILE . 3.3 tt -90.22 -46.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.17 11.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.676 ' CE3' HD11 ' A' ' 4' ' ' LEU . 11.0 m0 -145.94 85.86 1.7 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 0.0 110.782 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 p -118.86 -14.03 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.8 t -90.17 104.25 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -88.73 125.37 34.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.693 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.8 mmt180 -103.52 -159.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.258 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.64 88.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.36 17.45 39.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.807 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.92 164.43 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 42.9 t -130.19 126.31 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.428 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -151.21 -176.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -79.88 -33.2 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.436 ' HG ' ' CE2' ' A' ' 17' ' ' TRP . 1.4 mm? . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.832 0.348 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.07 67.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' CYS . 9.0 mt -86.34 126.52 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.739 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.73 120.57 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.414 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 p -141.72 170.56 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -108.72 -68.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.175 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -82.37 -177.71 6.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.113 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -61.63 -17.8 56.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.388 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.65 64.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 111.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -98.39 24.63 7.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.968 0.413 . . . . 0.0 110.422 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.8 m -114.5 -26.19 8.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.037 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t30 56.52 22.8 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.364 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 18.1 m-30 -90.08 157.0 17.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mm -87.99 -43.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.669 HG23 ' CD2' ' A' ' 17' ' ' TRP . 3.1 tp -85.02 2.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.255 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.669 ' CD2' HG23 ' A' ' 16' ' ' ILE . 5.5 m-90 -151.3 90.35 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.974 0.416 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.9 -18.35 8.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.695 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.534 HG21 ' HA ' ' A' ' 28' ' ' SER . 31.0 t -88.05 107.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.515 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -88.93 126.25 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.078 0.466 . . . . 0.0 111.759 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -102.43 -158.48 0.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.3 87.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.741 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 20.28 42.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.448 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -126.4 166.44 17.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.93 0.395 . . . . 0.0 111.62 -179.558 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -121.4 135.89 55.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.238 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -151.51 172.77 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.408 . . . . 0.0 111.38 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.62 HD13 HD12 ' A' ' 16' ' ' ILE . 7.8 tp -79.97 -33.14 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.534 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.838 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.474 HD23 ' HZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.81 0.338 . . . . 0.0 110.972 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.49 90.36 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.6 mt -99.09 139.48 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 6' ' ' CYS . 1.8 tt -49.13 122.37 5.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.287 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.44 ' N ' HD23 ' A' ' 5' ' ' LEU . 26.7 t -133.74 158.78 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.972 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -118.02 -36.65 3.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.217 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.837 HG22 ' HB2' ' A' ' 11' ' ' ASP . 12.9 t -116.86 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.99 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.5 m -75.81 -27.3 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.683 ' H ' HG23 ' A' ' 8' ' ' THR . 4.3 ptp180 -147.0 66.93 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.837 ' HB2' HG22 ' A' ' 8' ' ' THR . 5.9 t70 -98.83 32.87 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.14 -37.85 3.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.91 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m120 64.73 15.5 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.384 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -90.19 169.06 11.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.758 0.313 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 16' ' ' ILE . 6.0 tt -89.64 -47.3 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.21 10.41 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 179.68 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TRP . . . . . 0.695 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.2 m0 -149.62 85.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 110.724 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -127.22 -13.65 5.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 t -90.05 100.86 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 18.0 m -90.06 130.33 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 111.596 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.5 ttt85 -105.58 -158.11 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.699 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.373 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.79 26.56 65.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.575 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.64 171.53 14.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 111.459 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 36.6 t -135.07 134.18 40.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.304 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -154.38 -172.77 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.41 -31.62 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.918 179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.827 0.346 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.45 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -131.32 176.48 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.13 61.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.741 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 25' ' ' CYS . 2.3 mt -82.2 141.0 33.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.637 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.3 tp -48.99 117.97 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.893 0.378 . . . . 0.0 111.326 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 32.1 t -129.97 159.02 37.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -107.57 -52.51 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.409 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.937 HG22 ' HB2' ' A' ' 11' ' ' ASP . 14.4 t -112.8 -163.65 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.175 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 p -66.28 -27.78 68.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.212 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.805 ' H ' HG23 ' A' ' 8' ' ' THR . 6.1 ptm180 -152.18 64.8 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 111.191 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.937 ' HB2' HG22 ' A' ' 8' ' ' THR . 39.1 t70 -98.98 26.83 5.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.735 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.45 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.4 m -115.23 -32.99 5.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.011 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 57.86 27.65 14.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.45 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.9 m-30 -90.09 171.71 9.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.775 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.493 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -87.97 -58.17 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.564 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.18 17.26 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.653 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.564 ' CE3' HD11 ' A' ' 16' ' ' ILE . 11.7 m0 -149.33 87.86 1.54 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.822 0.344 . . . . 0.0 110.763 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.79 -14.71 6.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.754 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG11 ' O ' ' A' ' 28' ' ' SER . 25.6 t -90.25 98.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 110.657 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.411 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 33.6 m -90.08 129.2 36.41 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.048 0.452 . . . . 0.0 111.444 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.1 ttp180 -103.56 -158.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.47 179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -52.52 87.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.739 179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 61.55 25.54 65.39 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.358 -179.45 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -130.16 167.78 17.85 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.936 0.398 . . . . 0.0 111.596 -179.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 4' ' ' LEU . 2.3 t -130.98 134.6 46.87 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.437 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -159.98 174.34 14.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.893 0.378 . . . . 0.0 111.13 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.01 -33.05 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.117 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.467 ' O ' HG11 ' A' ' 19' ' ' VAL . 32.4 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.653 ' O ' HD22 ' A' ' 2' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.755 0.312 . . . . 0.0 111.196 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.653 HD22 ' O ' ' A' ' 1' ' ' GLN . 0.9 OUTLIER -139.64 177.2 8.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.948 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.07 64.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.761 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.69 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.6 mt -79.92 139.22 37.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.678 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -45.91 120.78 2.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.663 -179.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 11.3 t -133.82 161.18 35.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.724 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -118.15 -36.89 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.304 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.7 p -125.17 -164.48 1.29 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.064 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 p -64.54 -26.33 68.37 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.086 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -158.87 51.41 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.838 0.351 . . . . 0.0 111.094 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.92 -14.3 58.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.525 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 6.2 p -79.71 -37.19 36.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.641 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 55.13 45.94 25.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.608 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.525 ' CD1' ' HB2' ' A' ' 12' ' ' CYS . 14.1 m-85 -90.08 -177.26 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.716 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -90.08 -65.44 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.815 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.601 HD11 ' CZ3' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -90.35 20.75 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.408 179.673 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.69 ' CE3' HD11 ' A' ' 4' ' ' LEU . 6.2 m0 -147.02 87.92 1.71 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.57 -17.76 11.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.453 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.1 t -90.19 101.33 12.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.735 0.302 . . . . 0.0 110.795 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.11 134.45 34.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.095 0.474 . . . . 0.0 111.517 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.92 -159.12 0.68 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.782 179.343 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.96 84.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.853 0.358 . . . . 0.0 110.705 179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.5 26.9 73.55 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.345 -179.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -133.21 168.47 18.49 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.01 0.433 . . . . 0.0 111.571 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 32.4 t -138.19 121.02 16.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.149 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.42 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 17.1 p30 -144.91 -174.77 4.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.398 . . . . 0.0 111.227 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.6 tp -79.8 -34.68 15.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.182 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.901 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.836 0.35 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.864 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -160.03 91.13 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.806 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 100.15 13.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.702 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.802 HD23 HD11 ' A' ' 2' ' ' LEU . 8.1 mt -79.74 -170.68 2.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.225 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.8 mp -78.54 122.71 26.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.697 0.284 . . . . 0.0 110.95 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 13.8 t -141.73 159.12 42.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.302 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -122.03 -36.48 2.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.4 p -117.59 -163.93 0.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.994 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 m -70.21 -27.64 64.65 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.033 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -153.15 63.7 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.976 0.417 . . . . 0.0 110.999 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -96.15 25.86 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.699 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.5 OUTLIER -120.13 -23.1 6.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.12 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 p30 46.62 28.4 0.78 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.731 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 18' ' ' THR . 22.0 m-85 -90.12 166.58 13.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.489 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -90.16 -47.43 14.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.236 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.597 HG23 ' CD2' ' A' ' 17' ' ' TRP . 2.7 tp -88.1 7.52 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.6 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.864 ' CZ2' HD23 ' A' ' 2' ' ' LEU . 5.6 m-90 -154.71 92.25 1.46 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.884 0.373 . . . . 0.0 110.707 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 14' ' ' TYR . 18.5 p -123.4 -15.66 7.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.698 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.43 101.02 11.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.73 0.3 . . . . 0.0 110.629 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.4 m -90.19 133.61 34.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.169 0.509 . . . . 0.0 111.834 -179.27 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.9 mtt-85 -117.32 -149.17 0.44 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.406 179.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -42.93 87.27 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.914 0.387 . . . . 0.0 111.709 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 50.07 25.05 7.23 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 113.383 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.564 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 28.7 p -134.73 164.75 26.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.003 0.43 . . . . 0.0 111.777 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.3 t -119.68 128.91 54.25 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.8 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -143.1 -177.44 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.021 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.566 HD13 HD12 ' A' ' 16' ' ' ILE . 9.1 tp -86.32 -36.07 9.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.938 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.466 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -132.81 132.37 42.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.993 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.75 90.73 3.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.871 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.512 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.4 mt -100.33 138.75 36.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.7 mp -48.77 122.87 6.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 t -128.54 161.71 28.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.838 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -113.41 -32.51 6.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.879 HG22 ' HB2' ' A' ' 11' ' ' ASP . 15.2 t -134.12 -163.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.049 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.7 p -66.93 -28.65 68.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.736 ' H ' HG23 ' A' ' 8' ' ' THR . 7.3 ptp180 -152.62 66.06 0.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 111.139 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.879 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.9 t70 -98.57 26.72 5.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.691 179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 5.2 m -118.0 -34.37 4.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.965 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 58.67 25.9 13.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.355 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.459 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 19.8 m-30 -89.99 167.37 12.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.813 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.61 -52.38 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.699 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.0 10.83 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.697 179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.699 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.0 m0 -150.01 87.98 1.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.9 t -125.32 -15.77 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.663 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.13 98.51 8.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.777 0.322 . . . . 0.0 110.62 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 26.7 m -90.01 133.2 34.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.057 0.456 . . . . 0.0 111.513 -179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -105.05 -159.4 0.71 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.586 179.205 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -53.58 84.87 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.843 0.354 . . . . 0.0 110.681 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 66.31 26.88 72.7 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.335 -179.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.405 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -132.74 169.44 16.7 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.064 0.459 . . . . 0.0 111.651 -179.694 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.0 t -132.53 132.54 42.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.356 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -154.3 -178.72 7.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.95 0.405 . . . . 0.0 111.152 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.475 HD13 ' HA ' ' A' ' 16' ' ' ILE . 9.3 tp -87.11 -34.52 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.131 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.892 -179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.841 0.353 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.463 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -96.55 -168.15 1.68 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.827 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.05 59.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.816 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.738 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.8 mt -80.06 123.51 27.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.17 122.67 6.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.513 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 3.7 p -144.47 166.8 24.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.779 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 41.6 mm-40 -105.64 -70.36 0.78 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.96 0.41 . . . . 0.0 111.118 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.71 HG23 ' OD1' ' A' ' 11' ' ' ASP . 49.1 p -81.45 -176.0 5.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.08 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.69 -17.04 62.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.315 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 ptt-85 -157.77 60.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.841 0.353 . . . . 0.0 111.299 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.71 ' OD1' HG23 ' A' ' 8' ' ' THR . 2.1 m-20 -99.98 28.43 4.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.995 0.426 . . . . 0.0 110.31 179.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.486 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.6 m -114.02 -29.68 6.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.949 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m120 62.28 29.1 17.3 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.344 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.486 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 31.2 m-85 -90.11 164.49 14.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.878 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.461 HD12 ' H ' ' A' ' 15' ' ' ILE . 3.9 mp -88.43 -56.19 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.41 ' O ' ' CD1' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.15 17.55 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.505 179.774 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.738 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.5 m0 -146.08 87.36 1.74 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.911 0.386 . . . . 0.0 110.68 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -120.56 -14.49 8.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.615 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.587 HG11 ' CB ' ' A' ' 28' ' ' SER . 21.9 t -90.07 98.53 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.807 0.337 . . . . 0.0 110.585 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -83.2 125.05 31.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.059 0.457 . . . . 0.0 111.623 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.1 OUTLIER -101.29 -160.6 0.8 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 178.582 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -51.02 88.06 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.861 0.362 . . . . 0.0 110.765 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.22 21.08 52.69 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.468 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -128.13 164.98 21.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.959 0.409 . . . . 0.0 111.531 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.489 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -122.92 132.73 54.3 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 24.8 p30 -160.04 170.8 20.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.978 0.418 . . . . 0.0 111.306 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.406 ' O ' HG21 ' A' ' 19' ' ' VAL . 3.4 tt -79.96 -36.53 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.167 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.587 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.83 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 1.1 tp -127.64 112.65 15.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.811 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.635 ' N ' HD12 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -99.9 95.47 6.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.964 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.878 HD11 ' CE3' ' A' ' 17' ' ' TRP . 2.2 mt -79.96 -172.42 3.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.01 179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.5 mp -70.71 128.89 37.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.742 0.305 . . . . 0.0 111.131 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.1 t -147.66 157.81 43.72 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.234 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -125.22 -38.28 2.32 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.955 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.9 p -109.23 -160.63 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.809 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.5 m -75.05 -30.7 61.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.055 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 63.49 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.742 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.0 -19.66 47.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.077 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 1.3 m -79.76 -29.91 40.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.845 0.355 . . . . 0.0 110.717 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 52.94 25.33 3.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.425 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 21.0 m-85 -90.06 171.41 9.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.818 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 16' ' ' ILE . 26.9 pt -88.95 -40.71 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.708 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.23 0.99 8.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.568 179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.878 ' CE3' HD11 ' A' ' 4' ' ' LEU . 11.6 m0 -147.33 86.22 1.61 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.767 0.318 . . . . 0.0 110.877 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 t -117.54 -20.01 9.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.627 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.31 101.81 12.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.673 0.273 . . . . 0.0 110.417 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 11.4 m -87.89 133.02 34.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.207 0.527 . . . . 0.0 111.942 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 23' ' ' GLY . 6.4 ttt180 -111.74 -151.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.411 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.66 87.58 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.966 0.412 . . . . 0.0 111.665 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.04 30.49 38.17 Favored Glycine 0 CA--C 1.518 0.275 0 CA-C-N 115.963 -0.562 . . . . 0.0 113.276 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.57 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 29.5 p -142.43 162.59 35.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.978 0.389 . . . . 0.0 111.651 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.651 ' SG ' HD12 ' A' ' 4' ' ' LEU . 9.7 p -117.28 126.64 53.05 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.704 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 4.8 p-10 -139.07 -177.6 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.93 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 28' ' ' SER . 1.3 tp -83.52 -43.68 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.479 ' N ' HG23 ' A' ' 27' ' ' ILE . 12.7 t . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.946 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.402 ' NE2' ' CB ' ' A' ' 26' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.765 0.316 . . . . 0.0 111.186 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.476 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -130.95 131.05 44.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 91.67 3.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.524 HD11 ' CE3' ' A' ' 17' ' ' TRP . 3.0 mt -102.8 138.82 39.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 5' ' ' LEU . 4.4 mm? -48.46 123.01 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.18 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.8 t -125.69 162.14 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mm100 -110.32 -32.26 7.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.373 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.878 HG22 ' HB2' ' A' ' 11' ' ' ASP . 15.1 t -139.28 -162.99 1.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.051 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.5 p -61.04 -32.14 71.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.091 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.716 ' H ' HG23 ' A' ' 8' ' ' THR . 0.1 OUTLIER -156.56 66.23 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.993 0.425 . . . . 0.0 111.143 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.878 ' HB2' HG22 ' A' ' 8' ' ' THR . 0.6 OUTLIER -96.89 26.69 4.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.633 179.536 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 4.7 m -111.97 -28.38 8.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.943 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 59.83 19.41 8.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.452 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.474 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.1 m-30 -90.19 161.37 15.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.793 0.33 . . . . 0.0 110.783 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.649 HD12 HG23 ' A' ' 16' ' ' ILE . 2.6 pp -89.67 -39.17 12.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.745 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.18 0.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.589 179.531 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.745 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.6 m0 -147.26 87.6 1.67 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.839 0.352 . . . . 0.0 110.561 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -120.92 -18.03 7.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.655 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 27' ' ' ILE . 34.1 t -90.12 98.34 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.322 . . . . 0.0 110.506 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 57.2 m -90.13 135.26 33.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.098 0.475 . . . . 0.0 111.648 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 5.0 ttt85 -106.08 -158.63 0.67 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.569 179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -53.71 83.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.847 0.356 . . . . 0.0 110.582 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 67.32 25.53 73.62 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.884 -0.674 . . . . 0.0 112.296 -179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.409 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -129.71 168.62 16.23 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 121.012 0.434 . . . . 0.0 111.624 -179.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 4' ' ' LEU . 4.5 t -133.22 127.93 34.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.374 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.402 ' CB ' ' NE2' ' A' ' 1' ' ' GLN . 3.9 p-10 -148.92 175.38 11.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.215 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 28' ' ' SER . 4.2 tt -80.02 -44.18 22.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.244 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.49 ' N ' HG23 ' A' ' 27' ' ' ILE . 3.0 t . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.851 0.358 . . . . 0.0 111.202 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.491 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -79.96 134.21 36.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.89 85.86 2.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.966 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.68 HD11 ' CE3' ' A' ' 17' ' ' TRP . 7.9 mt -94.83 126.96 40.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.899 0.38 . . . . 0.0 110.881 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.6 mt -56.41 126.09 24.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.499 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 p -142.43 166.85 23.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.533 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 68.9 mm-40 -104.74 -51.28 3.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.935 0.398 . . . . 0.0 111.151 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 9' ' ' SER . 0.2 OUTLIER -100.11 179.03 4.61 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.022 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.515 ' H ' HG22 ' A' ' 8' ' ' THR . 3.2 m -60.8 -17.79 51.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.5 ptt85 -156.25 61.55 0.56 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.775 0.321 . . . . 0.0 111.247 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -98.3 27.78 4.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.001 0.429 . . . . 0.0 110.4 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.1 m -116.2 -30.78 5.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.847 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 64.03 22.54 12.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.589 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -90.13 158.53 17.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 110.784 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.1 pt -90.05 -39.76 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.654 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.674 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.39 6.33 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 179.138 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.68 ' CE3' HD11 ' A' ' 4' ' ' LEU . 9.7 m0 -148.03 87.83 1.63 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.854 0.359 . . . . 0.0 110.586 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.4 t -120.27 -17.41 8.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.626 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 t -90.14 101.12 11.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.429 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.1 m -88.18 125.08 34.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.03 0.443 . . . . 0.0 111.646 -179.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.487 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -96.24 -157.5 0.59 Allowed 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.568 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -52.81 88.1 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.934 0.397 . . . . 0.0 110.563 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.17 21.89 57.25 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.18 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -124.5 165.96 16.88 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.976 0.417 . . . . 0.0 111.531 -179.483 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -124.68 130.64 52.8 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.097 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -152.94 175.5 12.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 111.19 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -81.69 -34.5 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.104 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.91 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.443 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -108.29 -173.19 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.787 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.7 mt -80.01 117.32 20.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.446 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.26 127.88 11.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.546 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 p -143.3 172.62 12.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -108.93 -67.9 0.95 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.014 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.1 p -84.93 -178.11 6.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.042 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.5 p -60.46 -19.74 57.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -150.73 62.21 0.93 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.61 31.99 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.078 0.466 . . . . 0.0 110.297 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.18 -35.9 4.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.752 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.2 t30 67.47 17.42 10.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.239 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -90.1 165.17 14.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.796 0.331 . . . . 0.0 110.833 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' H ' HD13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.52 -46.99 14.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.621 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.11 11.76 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.47 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.0 m0 -146.26 86.05 1.68 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 m -120.36 -13.48 8.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.804 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.825 HG11 ' OXT' ' A' ' 28' ' ' SER . 21.2 t -90.12 104.62 15.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.771 0.32 . . . . 0.0 110.812 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -89.6 125.92 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.09 0.471 . . . . 0.0 111.669 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -104.15 -160.43 0.77 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.162 178.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -49.39 87.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.877 0.37 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.21 16.05 40.07 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.866 -179.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -124.68 165.74 17.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.867 0.365 . . . . 0.0 111.213 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 4' ' ' LEU . 42.9 t -132.07 127.99 37.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.751 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.439 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 11.5 p30 -154.32 -177.95 6.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.847 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.2 tp -80.57 -34.08 14.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.215 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.825 ' OXT' HG11 ' A' ' 19' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.938 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.818 0.342 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.867 HD23 ' CZ2' ' A' ' 17' ' ' TRP . 0.9 OUTLIER -116.81 118.88 33.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.762 ' N ' HD12 ' A' ' 2' ' ' LEU . 0.1 OUTLIER -103.87 98.57 8.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.775 179.717 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.812 HD11 ' CE3' ' A' ' 17' ' ' TRP . 14.3 mt -79.72 -171.67 2.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.346 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 tp -77.95 124.49 28.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.725 0.298 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.45 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 49.2 t -145.31 157.48 44.04 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.875 0.369 . . . . 0.0 111.345 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -122.18 -35.92 3.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.209 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.828 HG22 ' HB2' ' A' ' 11' ' ' ASP . 13.2 t -112.94 -158.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.987 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -76.45 -27.48 56.21 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.083 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.73 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -152.68 67.04 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.947 0.403 . . . . 0.0 111.004 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.828 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.2 t0 -98.26 32.65 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.467 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' HB2' ' CD1' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -124.01 -41.58 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.899 -179.543 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t30 66.47 24.89 10.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.295 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.67 ' O ' HG22 ' A' ' 18' ' ' THR . 23.4 m-85 -90.05 166.88 13.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.804 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.458 HG13 ' N ' ' A' ' 16' ' ' ILE . 18.6 pt -89.43 -46.28 15.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.697 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -90.2 7.99 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.547 179.77 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.867 ' CZ2' HD23 ' A' ' 2' ' ' LEU . 11.1 m0 -151.92 90.34 1.53 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.781 0.324 . . . . 0.0 110.481 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 14' ' ' TYR . 17.0 p -124.46 -17.68 5.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.854 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.1 t -90.46 101.82 12.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.68 0.276 . . . . 0.0 110.556 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 21.8 m -83.88 131.18 34.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.207 0.527 . . . . 0.0 111.77 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.8 ttt85 -112.13 -152.79 0.51 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.448 179.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.12 87.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.77 21.83 16.8 Favored Glycine 0 CA--C 1.518 0.277 0 CA-C-N 115.924 -0.58 . . . . 0.0 113.301 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 27.3 p -133.24 168.08 19.2 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 117.102 0.451 . . . . 0.0 111.754 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 43.4 t -119.99 125.3 48.05 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.736 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -136.69 -173.37 3.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.086 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.7 tt -88.15 -35.81 8.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.928 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.808 0.337 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.458 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -80.01 -175.88 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.801 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -159.99 63.42 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.47 HD11 ' CE3' ' A' ' 17' ' ' TRP . 10.1 mt -79.94 133.56 36.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.683 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.3 mt -46.52 121.12 3.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.222 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 25' ' ' CYS . 52.6 t -137.04 156.66 48.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.213 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -119.86 -39.69 2.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.9 p -105.25 -155.34 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.686 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -84.31 -25.9 28.93 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.667 0.27 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 22.6 mtt85 -147.86 71.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 111.161 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -96.88 24.88 5.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.0 m -110.14 -40.63 4.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 71.87 7.86 5.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.33 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 11.1 m-85 -90.25 168.02 12.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.2 pt -90.37 -37.91 10.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.0 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.573 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -90.14 1.95 7.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.328 179.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.573 ' CE3' HD11 ' A' ' 16' ' ' ILE . 13.7 m0 -145.32 84.78 1.71 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.772 0.32 . . . . 0.0 111.063 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -125.19 -11.04 7.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.799 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 ' O ' ' A' ' 27' ' ' ILE . 21.6 t -90.22 102.28 13.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.722 0.296 . . . . 0.0 111.047 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 16.0 m -90.15 127.11 36.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.042 0.449 . . . . 0.0 111.451 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.466 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -107.92 -159.11 0.68 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.501 179.156 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.72 89.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.956 0.407 . . . . 0.0 111.325 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 18.45 35.28 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.011 -0.614 . . . . 0.0 112.906 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.431 ' HB2' ' HG3' ' A' ' 21' ' ' ARG . 0.6 OUTLIER -128.36 168.05 16.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 111.285 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 2.1 t -135.93 130.43 33.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.763 -179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 1.8 p30 -160.04 -176.56 5.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.667 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.479 ' O ' HG21 ' A' ' 19' ' ' VAL . 9.0 tp -79.8 -30.13 13.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.342 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.836 0.35 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.44 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.5 OUTLIER -102.98 -172.48 2.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.04 61.03 0.35 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.59 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.2 mt -80.35 125.49 29.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.761 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.44 HD12 ' H ' ' A' ' 5' ' ' LEU . 5.6 mp -51.23 121.63 6.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.543 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.8 p -144.35 167.61 22.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -105.74 -69.73 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.98 0.419 . . . . 0.0 111.133 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.572 HG23 ' OD1' ' A' ' 11' ' ' ASP . 14.5 p -80.23 -174.2 4.41 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.138 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.2 p -67.06 -14.08 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.36 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.8 60.91 0.37 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.815 0.341 . . . . 0.0 111.286 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.572 ' OD1' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -99.62 27.91 5.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.948 0.404 . . . . 0.0 110.354 179.371 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.49 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 2.8 m -114.27 -30.21 6.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.888 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 m120 61.65 28.85 17.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.519 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.49 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 31.5 m-85 -90.13 166.43 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.911 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -89.93 -54.85 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.778 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.599 HD11 ' CE3' ' A' ' 17' ' ' TRP . 0.1 OUTLIER -90.21 17.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.39 179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.599 ' CE3' HD11 ' A' ' 16' ' ' ILE . 10.6 m0 -147.82 88.05 1.66 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.905 0.383 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.3 p -121.39 -14.97 8.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.76 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.605 HG11 ' OXT' ' A' ' 28' ' ' SER . 24.4 t -90.18 101.23 12.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.773 0.321 . . . . 0.0 110.534 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -89.63 126.52 35.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.011 0.434 . . . . 0.0 111.684 -179.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.7 OUTLIER -102.89 -158.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 178.527 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -50.42 87.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 0.0 110.809 179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.21 22.28 49.6 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.497 -179.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.9 OUTLIER -127.54 161.25 29.22 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.921 0.391 . . . . 0.0 111.54 -179.631 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -120.58 136.29 54.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.424 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.06 173.47 15.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.896 0.379 . . . . 0.0 111.113 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -80.01 -32.93 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.253 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.605 ' OXT' HG11 ' A' ' 19' ' ' VAL . 2.1 m . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.966 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 26' ' ' ASN . 5.8 pt20 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.832 0.349 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.427 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -80.0 124.5 28.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.855 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' CA ' ' HB2' ' A' ' 24' ' ' CYS . 0.7 OUTLIER -120.94 94.45 4.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.055 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.648 HD11 ' CE3' ' A' ' 17' ' ' TRP . 42.1 mt -88.6 114.83 25.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.511 179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mt -37.95 120.27 0.84 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.1 p -140.08 171.68 13.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.635 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -107.05 -67.94 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.972 0.415 . . . . 0.0 111.18 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.597 HG23 ' OD1' ' A' ' 11' ' ' ASP . 81.7 p -85.63 -175.94 5.85 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.95 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.56 -18.79 60.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.236 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -158.26 65.21 0.45 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.597 ' OD1' HG23 ' A' ' 8' ' ' THR . 0.4 OUTLIER -98.62 27.04 5.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.527 179.503 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 10.1 m -116.78 -31.36 5.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.959 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 59.24 25.99 14.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.188 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 16.4 m-30 -90.08 158.2 17.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 pt -90.05 -36.02 8.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.596 HG23 ' CD2' ' A' ' 17' ' ' TRP . 4.7 tp -89.0 -5.28 10.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.282 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.648 ' CE3' HD11 ' A' ' 4' ' ' LEU . 6.1 m-90 -149.5 89.13 1.61 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.875 0.369 . . . . 0.0 110.536 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 -20.56 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.732 -179.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' ' 28' ' ' SER . 21.6 t -90.18 117.21 33.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.596 0.236 . . . . 0.0 110.562 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -90.07 128.0 36.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.095 0.474 . . . . 0.0 111.612 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -106.94 -154.58 0.53 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.136 178.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -46.26 87.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.94 0.4 . . . . 0.0 111.406 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 53.85 22.73 19.98 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 115.948 -0.569 . . . . 0.0 113.054 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 2.1 p -137.06 175.51 9.55 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.135 0.493 . . . . 0.0 111.93 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -114.03 149.61 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.516 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.411 ' HB2' ' NE2' ' A' ' 1' ' ' GLN . 1.8 p-10 -160.0 173.22 16.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.993 179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.424 HD13 HD12 ' A' ' 16' ' ' ILE . 9.1 tp -80.0 -32.1 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.12 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.483 ' HA ' HG21 ' A' ' 19' ' ' VAL . 9.1 t . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.854 0.359 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.6 HD13 ' CD1' ' A' ' 17' ' ' TRP . 0.8 OUTLIER -101.36 -167.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.717 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -159.53 76.09 0.66 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 0.0 111.236 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD11 ' CD2' ' A' ' 17' ' ' TRP . 88.2 mt -92.31 102.95 15.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.452 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.737 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.6 pp -32.74 120.54 0.33 Allowed 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.9 172.81 13.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.526 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -113.86 -68.88 0.9 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.987 0.422 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.8 p -79.99 -169.04 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.003 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.7 m -69.27 -16.62 63.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.316 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ppt_? -159.97 53.15 0.34 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.72 0.295 . . . . 0.0 111.402 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -83.05 -9.16 59.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.908 0.385 . . . . 0.0 110.594 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.561 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 3.6 p -79.72 -34.52 39.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.612 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 52.71 40.01 29.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.582 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.561 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 12.0 m-85 -90.06 -176.93 5.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.827 179.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 31.6 mt -90.05 -66.51 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.108 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.623 HD11 ' CH2' ' A' ' 17' ' ' TRP . 0.2 OUTLIER -90.26 24.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.684 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.623 ' CH2' HD11 ' A' ' 16' ' ' ILE . 5.3 m-90 -147.08 89.08 1.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.388 . . . . 0.0 110.491 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 80.9 p -116.75 -16.74 10.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.775 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.05 109.37 20.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.652 0.263 . . . . 0.0 110.934 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -89.48 126.6 35.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.55 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.9 OUTLIER -104.69 -159.54 0.72 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.332 178.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -50.38 89.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 0.0 111.088 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 57.9 22.92 49.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.73 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.6 m -133.62 167.05 21.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.833 0.349 . . . . 0.0 111.36 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 10.6 t -131.8 129.96 41.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -147.99 -173.51 4.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.981 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 28' ' ' SER . 2.5 tt -79.64 -44.51 23.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.383 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.496 ' N ' HG23 ' A' ' 27' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.847 0.356 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.435 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -105.12 -176.26 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.08 61.4 0.35 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.771 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.73 HD12 ' SG ' ' A' ' 25' ' ' CYS . 10.9 mt -79.93 117.11 20.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.592 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tt -46.63 115.54 1.07 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.366 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.405 ' HB2' ' CB ' ' A' ' 11' ' ' ASP . 2.3 p -133.61 -177.16 4.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.97 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -126.51 -64.49 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.687 HG23 ' H ' ' A' ' 10' ' ' ARG . 11.6 t -79.92 -165.41 0.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 87.4 p -71.92 -26.74 62.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.687 ' H ' HG23 ' A' ' 8' ' ' THR . 18.3 ptt85 -147.27 75.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.038 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.405 ' CB ' ' HB2' ' A' ' 6' ' ' CYS . 0.7 OUTLIER -85.78 -17.75 34.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 179.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.5 m -79.85 -43.29 22.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.982 0.42 . . . . 0.0 110.583 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 71.48 21.94 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.387 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -90.14 175.88 6.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.773 0.32 . . . . 0.0 110.72 179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.71 HG13 HG23 ' A' ' 16' ' ' ILE . 21.9 pt -90.29 -45.1 14.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.739 179.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.71 HG23 HG13 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -90.28 10.95 2.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.271 179.579 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.581 ' CE3' HD11 ' A' ' 16' ' ' ILE . 12.5 m0 -148.45 86.76 1.55 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.723 0.297 . . . . 0.0 111.018 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.8 t -126.74 -12.3 6.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.932 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.611 HG11 ' CB ' ' A' ' 28' ' ' SER . 24.6 t -90.26 104.8 15.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.079 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.2 m -88.53 123.91 33.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.063 0.459 . . . . 0.0 111.451 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt180 -103.11 -160.98 0.81 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.292 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -50.49 89.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.928 0.394 . . . . 0.0 111.138 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.97 18.16 46.45 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 121.001 -0.619 . . . . 0.0 112.781 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 1.1 m -127.91 164.3 22.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.868 0.366 . . . . 0.0 111.184 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.73 ' SG ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -132.26 124.42 28.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.292 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.3 OUTLIER -153.22 -176.42 5.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.416 ' O ' HG21 ' A' ' 19' ' ' VAL . 8.9 tp -79.97 -37.45 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.182 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.611 ' CB ' HG11 ' A' ' 19' ' ' VAL . 1.1 t . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.539 HD12 ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.97 136.45 36.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -125.07 94.95 4.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.786 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' CD2' HD12 ' A' ' 2' ' ' LEU . 9.9 mt -99.99 139.66 35.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.82 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tp -48.57 122.07 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 13.4 t -134.91 160.78 37.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -116.96 -38.18 3.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.418 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.948 HG22 ' HB2' ' A' ' 11' ' ' ASP . 14.9 t -124.18 -164.64 1.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.219 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -63.44 -28.48 70.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.164 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.772 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -156.53 57.36 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.926 0.393 . . . . 0.0 111.25 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.948 ' HB2' HG22 ' A' ' 8' ' ' THR . 33.8 t70 -79.8 -18.32 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.618 179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 4.2 p -79.72 -39.07 31.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.58 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 m120 54.87 40.67 32.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.644 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 14.7 m-85 -90.1 175.71 7.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.732 0.301 . . . . 0.0 110.67 179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.7 mt -87.62 -54.48 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.094 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.721 HG23 ' CD2' ' A' ' 17' ' ' TRP . 3.2 tp -90.12 13.9 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.544 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.721 ' CD2' HG23 ' A' ' 16' ' ' ILE . 5.2 m-90 -156.05 92.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 0.0 110.675 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 t -120.52 -17.63 8.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.814 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.8 HG21 ' HB3' ' A' ' 28' ' ' SER . 39.3 t -90.08 102.61 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.792 0.33 . . . . 0.0 110.566 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 28.6 m -89.62 136.06 33.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.193 0.52 . . . . 0.0 111.9 -179.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.3 ttm-85 -108.33 -156.95 0.6 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.613 179.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.71 86.99 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 62.02 29.53 72.9 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.616 -179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.1 OUTLIER -136.85 169.72 17.28 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.996 0.427 . . . . 0.0 111.573 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.512 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 31.1 t -133.18 124.3 27.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.955 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -144.16 -176.59 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.985 0.421 . . . . 0.0 111.578 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.66 HD13 HD12 ' A' ' 16' ' ' ILE . 9.2 tp -89.12 -34.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.105 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.8 ' HB3' HG21 ' A' ' 19' ' ' VAL . 12.3 t . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.875 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.458 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -105.6 -168.01 1.4 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 t -160.02 58.26 0.36 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.721 HD11 ' CE3' ' A' ' 17' ' ' TRP . 8.0 mt -80.01 124.94 29.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.76 121.74 5.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.508 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.1 p -142.58 165.76 26.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.755 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -104.59 -70.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.943 0.401 . . . . 0.0 111.035 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.5 p -82.28 -179.03 7.27 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.074 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -60.52 -19.3 56.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.269 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -155.55 60.67 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.809 0.338 . . . . 0.0 111.273 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -102.78 30.95 4.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.054 0.454 . . . . 0.0 110.22 179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.481 ' HB3' ' CD1' ' A' ' 14' ' ' TYR . 2.8 m -114.17 -25.98 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.032 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 63.49 22.14 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.405 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 12' ' ' CYS . 23.3 m-85 -90.19 156.8 18.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.71 0.29 . . . . 0.0 110.868 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.726 HG13 HG23 ' A' ' 16' ' ' ILE . 24.7 pt -90.06 -45.26 15.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.836 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.726 HG23 HG13 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.21 11.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 179.398 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.721 ' CE3' HD11 ' A' ' 4' ' ' LEU . 12.0 m0 -146.12 87.63 1.76 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.999 0.428 . . . . 0.0 110.535 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.02 -15.07 9.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.64 -179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 28' ' ' SER . 24.8 t -89.96 98.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.785 0.326 . . . . 0.0 110.555 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.2 m -84.4 125.63 32.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.06 0.457 . . . . 0.0 111.608 -179.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 23' ' ' GLY . 1.3 ttt-85 -102.25 -159.65 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 178.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.8 m-20 -50.68 87.75 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.893 0.378 . . . . 0.0 110.681 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.62 20.48 46.6 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.47 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.423 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 1.1 m -126.33 164.33 21.28 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.992 0.425 . . . . 0.0 111.567 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.482 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -123.23 132.51 54.06 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.415 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.448 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 26.5 p30 -160.03 170.27 21.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.937 0.399 . . . . 0.0 111.463 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 28' ' ' SER . 5.4 tt -79.96 -40.16 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.129 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.479 ' HB2' HG21 ' A' ' 19' ' ' VAL . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.796 0.331 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.438 ' HG ' ' CZ2' ' A' ' 17' ' ' TRP . 0.4 OUTLIER -128.59 -172.45 2.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 t -160.05 60.57 0.35 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.784 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.676 HD11 ' CE3' ' A' ' 17' ' ' TRP . 6.4 mt -79.86 115.27 19.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.549 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.9 tp -45.14 128.68 7.55 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.745 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 12.9 p -144.95 171.75 14.01 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.8 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -108.49 -68.23 0.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 40.5 p -83.29 -177.55 6.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -17.99 60.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.379 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.65 66.18 0.68 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 111.31 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -105.69 32.86 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.021 0.439 . . . . 0.0 110.338 179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -114.39 -29.62 6.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.84 -179.572 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 63.45 18.98 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.446 ' CD2' ' HB2' ' A' ' 12' ' ' CYS . 30.3 m-85 -90.17 161.58 15.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 16' ' ' ILE . 3.3 tt -90.22 -46.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.746 HG23 HG23 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -90.17 11.14 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 179.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.676 ' CE3' HD11 ' A' ' 4' ' ' LEU . 11.0 m0 -145.94 85.86 1.7 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.794 0.33 . . . . 0.0 110.782 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 26.6 p -118.86 -14.03 9.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.728 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.8 t -90.17 104.25 15.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 120.739 0.304 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 1.3 m -88.73 125.37 34.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.015 0.436 . . . . 0.0 111.693 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.8 mmt180 -103.52 -159.99 0.75 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.258 178.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -49.64 88.61 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.912 0.387 . . . . 0.0 111.122 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 59.36 17.45 39.36 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.807 -179.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.92 164.43 20.8 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.835 0.35 . . . . 0.0 111.216 -179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 42.9 t -130.19 126.31 37.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.594 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.428 ' HA ' ' CD1' ' A' ' 17' ' ' TRP . 0.6 OUTLIER -151.21 -176.98 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.77 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.3 tp -79.88 -33.2 14.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.901 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.846 0.355 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.436 ' HG ' ' CE2' ' A' ' 17' ' ' TRP . 1.4 mm? -105.89 -173.53 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.07 67.75 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' ' 25' ' ' CYS . 9.0 mt -86.34 126.52 34.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.739 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 63.9 mt -52.73 120.57 5.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.414 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 9.4 p -141.72 170.56 15.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.717 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -108.72 -68.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.175 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -82.37 -177.71 6.77 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.113 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 m -61.63 -17.8 56.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.388 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.65 64.53 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.815 0.34 . . . . 0.0 111.327 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -98.39 24.63 7.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.968 0.413 . . . . 0.0 110.422 179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.472 ' HB3' ' CD2' ' A' ' 14' ' ' TYR . 8.8 m -114.5 -26.19 8.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.037 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t30 56.52 22.8 6.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.364 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 12' ' ' CYS . 18.1 m-30 -90.08 157.0 17.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.786 0.327 . . . . 0.0 110.884 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 28.4 mm -87.99 -43.71 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.669 HG23 ' CD2' ' A' ' 17' ' ' TRP . 3.1 tp -85.02 2.61 4.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.255 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.669 ' CD2' HG23 ' A' ' 16' ' ' ILE . 5.5 m-90 -151.3 90.35 1.58 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.974 0.416 . . . . 0.0 110.592 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.9 -18.35 8.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.695 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.534 HG21 ' HA ' ' A' ' 28' ' ' SER . 31.0 t -88.05 107.05 17.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.776 0.322 . . . . 0.0 110.515 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 24' ' ' CYS . 1.3 m -88.93 126.25 35.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.078 0.466 . . . . 0.0 111.759 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -102.43 -158.48 0.67 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 178.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.3 87.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.87 0.367 . . . . 0.0 110.741 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 58.23 20.28 42.86 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.448 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 20' ' ' CYS . 0.8 OUTLIER -126.4 166.44 17.18 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.93 0.395 . . . . 0.0 111.62 -179.558 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -121.4 135.89 55.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.238 179.856 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -151.51 172.77 15.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.958 0.408 . . . . 0.0 111.38 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.62 HD13 HD12 ' A' ' 16' ' ' ILE . 7.8 tp -79.97 -33.14 14.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.076 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.534 ' HA ' HG21 ' A' ' 19' ' ' VAL . 3.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.838 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.822 0.344 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.474 HD23 ' HZ2' ' A' ' 17' ' ' TRP . 0.0 OUTLIER -133.81 130.12 37.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -115.49 90.36 3.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.715 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 25' ' ' CYS . 1.6 mt -99.09 139.48 34.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 6' ' ' CYS . 1.8 tt -49.13 122.37 5.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.287 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.44 ' N ' HD23 ' A' ' 5' ' ' LEU . 26.7 t -133.74 158.78 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.972 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -118.02 -36.65 3.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.217 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.837 HG22 ' HB2' ' A' ' 11' ' ' ASP . 12.9 t -116.86 -162.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.99 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.5 m -75.81 -27.3 57.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.057 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.683 ' H ' HG23 ' A' ' 8' ' ' THR . 4.3 ptp180 -147.0 66.93 1.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.837 ' HB2' HG22 ' A' ' 8' ' ' THR . 5.9 t70 -98.83 32.87 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.579 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.14 -37.85 3.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.91 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m120 64.73 15.5 9.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.384 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -90.19 169.06 11.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.758 0.313 . . . . 0.0 110.834 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.5 HG23 ' N ' ' A' ' 16' ' ' ILE . 6.0 tt -89.64 -47.3 14.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.877 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.695 HD13 ' CD2' ' A' ' 17' ' ' TRP . 0.7 OUTLIER -90.21 10.41 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 179.68 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TRP . . . . . 0.695 ' CD2' HD13 ' A' ' 16' ' ' ILE . 10.2 m0 -149.62 85.98 1.45 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.736 0.303 . . . . 0.0 110.724 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -127.22 -13.65 5.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.916 -179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.3 t -90.05 100.86 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 18.0 m -90.06 130.33 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.054 0.454 . . . . 0.0 111.596 -179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 23' ' ' GLY . 4.5 ttt85 -105.58 -158.11 0.64 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.699 179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.07 88.6 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.882 0.373 . . . . 0.0 110.978 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 60.79 26.56 65.29 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.575 -179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.64 171.53 14.21 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.997 0.427 . . . . 0.0 111.459 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 36.6 t -135.07 134.18 40.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.304 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.1 p30 -154.38 -172.77 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.09 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.41 -31.62 5.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.27 -0.871 . . . . 0.0 110.918 179.994 . . . . . . . . 0 0 . 1 stop_ save_