data_2fmr_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 2fmr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 36' ' ' THR . 2.4 p . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.6 0.238 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.0 -0.68 38.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.269 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -124.05 87.88 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 53.3 p-80 -120.54 168.32 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.919 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.55 141.73 25.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.53 141.74 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.245 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -160.25 134.42 7.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.73 143.28 13.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.251 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.88 122.56 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.25 152.51 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.16 -42.98 99.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -57.94 -43.82 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.54 46.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.366 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 tmm? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.449 -179.828 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.8 0.333 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -63.92 -29.54 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.384 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mp -73.28 -53.01 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.499 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -62.78 -50.81 69.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -50.21 -51.73 41.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.23 -30.48 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -33.67 41.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.75 68.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.429 ' CG1' ' HD2' ' A' ' 33' ' ' PRO . 57.7 t -51.76 140.08 29.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 47.2 Cg_endo -74.74 107.74 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.514 2.143 . . . . 0.0 112.266 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.84 -46.03 0.82 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.89 122.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.422 HG22 ' HB3' ' A' ' 2' ' ' SER . 15.3 t -95.46 -21.29 18.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.54 162.25 2.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 tt -136.27 141.32 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.95 144.03 48.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.461 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.475 HD13 ' CE2' ' A' ' 47' ' ' PHE . 6.2 tt -122.07 138.11 54.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.39 125.11 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -103.56 -43.73 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.12 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.44 60.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.948 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -87.66 -18.21 30.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 t 70.57 49.65 0.4 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m -138.32 159.92 40.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.475 ' CE2' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.44 132.9 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.696 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -120.02 134.26 55.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.232 0.539 . . . . 0.0 110.655 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.436 HD13 ' CD1' ' A' ' 64' ' ' LEU . 6.0 mm -119.79 133.11 67.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.124 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.96 117.98 30.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.185 0.517 . . . . 0.0 110.152 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.01 -171.08 13.26 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.086 -1.205 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -132.44 31.68 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.76 120.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.478 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.1 -42.54 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.264 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.15 -62.06 2.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.456 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.57 -43.98 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.9 t -64.15 -43.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.519 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -64.44 -27.86 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -77.15 -49.99 13.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.16 -30.68 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -38.66 56.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -67.7 -28.26 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -83.49 -44.62 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.436 ' CD1' HD13 ' A' ' 49' ' ' ILE . 13.3 mt -56.94 -38.68 73.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.493 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -82.37 -42.79 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.227 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.87 160.78 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 19.3 p-80 -156.41 171.72 19.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.086 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.11 135.63 25.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.43 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 1.7 pp0? -126.85 124.15 38.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -150.49 148.53 28.83 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.283 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -77.51 149.89 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.63 149.83 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -74.56 150.09 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.32 -42.13 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.443 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.475 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -105.27 40.88 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.452 ' HA ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 111.474 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -86.04 0.07 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.9 mt -74.98 -47.45 36.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.36 -29.1 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.04 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 91.1 mm-40 -75.91 -58.4 3.3 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.66 -28.76 6.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.276 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -32.56 51.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.537 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -27.4 67.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -51.06 128.03 28.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.369 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.82 96.25 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.411 2.074 . . . . 0.0 112.044 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.411 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . 159.28 -33.44 0.46 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.02 130.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.033 0.444 . . . . 0.0 110.401 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 m -93.8 -37.62 11.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.06 166.67 4.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.227 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.1 tt -135.2 145.13 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.088 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.44 151.53 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 110.802 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 39.6 tp -119.93 159.88 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.491 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.64 111.8 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.1 0.476 . . . . 0.0 110.862 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.41 43.62 1.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.897 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.74 -50.84 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.8 t -132.27 27.88 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 0.0 110.378 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.45 80.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.744 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.1 m -134.74 150.88 50.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.986 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.69 121.52 40.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -118.04 131.24 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 20.8 mm -118.97 138.86 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.72 116.28 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.535 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.92 131.18 3.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.26 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.267 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.71 122.65 28.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.252 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -26.41 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.04 -51.13 63.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.411 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -61.96 -39.05 90.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -59.85 -43.9 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -57.12 -55.12 38.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.44 -29.73 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.93 76.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.526 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -37.09 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 t -61.09 -33.48 73.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -75.63 -44.06 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.89 -17.97 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.804 0.335 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -114.52 -22.21 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -120.33 124.21 45.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 110.434 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -142.88 178.78 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.484 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -160.31 143.31 13.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.33 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 4.7 pt20 -121.25 137.0 54.88 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.443 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 44.5 p90 -157.99 131.73 7.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.9 pt -67.78 179.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.471 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 m -152.44 149.23 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.274 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -72.28 143.03 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -67.64 -42.09 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.33 -27.11 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.06 28.18 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -84.87 -68.19 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.7 -32.53 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.188 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.64 -55.48 9.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 111.111 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -52.19 -46.92 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.13 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.337 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -71.64 -43.16 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -25.75 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.629 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.75 133.36 89.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.328 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -81.28 117.09 3.1 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 111.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.77 -39.5 1.56 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.76 134.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -90.48 -48.6 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.04 167.0 16.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 tt -132.74 149.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -160.07 166.21 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tp -131.81 149.11 52.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.961 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.65 143.97 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.81 -37.13 8.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.461 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -60.37 3.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.01 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -25.75 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.64 77.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.683 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -157.16 -168.29 2.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.706 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.82 131.22 56.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.51 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -118.03 124.21 47.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.518 0.675 . . . . 0.0 111.469 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.0 mm -119.79 129.97 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.141 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' O ' ' CB ' ' A' ' 36' ' ' THR . 6.9 m-85 -118.81 93.12 3.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.885 0.374 . . . . 0.0 110.308 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.9 159.23 14.81 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -98.57 30.51 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.993 0.425 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.34 126.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.092 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.31 -24.77 30.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.2 51.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.716 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.46 -42.02 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.705 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 58' ' ' LYS . 9.8 p -65.33 -46.38 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.598 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 17.9 mmtm -59.91 -46.02 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.633 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -55.64 -39.96 71.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -32.65 73.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.603 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 1.1 tmm_? -67.42 -47.15 71.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.524 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 t -54.72 -35.37 63.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.448 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -83.33 -30.23 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.419 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.1 mt -89.55 51.22 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.416 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 CA--C 1.523 -0.084 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.31 -40.88 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.18 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 123.46 41.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.72 0.295 . . . . 0.0 110.314 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 22.8 p-80 -141.9 171.1 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.066 0.46 . . . . 0.0 111.154 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -150.06 140.39 22.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.798 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -120.22 141.89 49.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 111.03 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -165.81 145.38 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -84.62 145.73 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -132.92 136.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.226 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.26 -179.58 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -50.63 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.259 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.61 -38.96 84.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.225 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.15 -31.1 71.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.184 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.28 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.869 0.366 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -85.39 -57.1 3.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.047 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.0 mt -71.67 -43.23 70.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.856 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.0 -33.76 69.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.432 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 48.5 mm-40 -70.62 -49.53 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.537 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.14 -42.32 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -32.08 72.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.416 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -52.29 131.08 42.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.15 110.23 2.98 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.339 2.026 . . . . 0.0 111.969 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.06 -38.23 1.12 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.29 124.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.653 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.8 p -87.82 -37.76 16.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.176 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -174.57 148.07 1.14 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.433 HG13 ' CD1' ' A' ' 49' ' ' ILE . 12.0 tt -129.58 153.07 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.279 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -160.95 169.42 22.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.927 0.394 . . . . 0.0 111.077 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 tp -119.16 155.31 31.85 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.61 139.57 51.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 110.558 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.08 -53.4 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.21 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.74 -35.4 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 m -97.95 -23.02 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.71 63.95 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -147.42 167.46 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.24 123.55 48.01 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -117.51 132.52 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.321 0.581 . . . . 0.0 110.654 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.0 mm -120.34 131.86 71.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' THR . 28.1 m-85 -115.31 119.11 35.22 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.41 -174.77 15.94 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.48 29.83 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.55 114.01 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.122 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.21 -29.44 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.469 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.37 -31.77 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -79.17 -46.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -33.96 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -38.92 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.245 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.26 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.398 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -45.91 83.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.53 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -54.71 -39.3 68.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.52 -42.38 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.449 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.414 HD12 HD13 ' A' ' 49' ' ' ILE . 12.1 mt -68.15 -42.5 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.406 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.934 0.397 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -86.08 -21.79 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.124 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.1 145.63 45.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -138.21 166.38 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.612 0.72 . . . . 0.0 112.106 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.05 106.34 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.543 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 6.2 pt20 -118.54 125.76 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 111.648 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -147.39 162.03 39.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.38 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pt -93.37 136.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.072 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.3 139.08 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -65.99 139.29 58.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -51.32 -35.66 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.99 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.12 36.72 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.2 ttm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 -0.047 0 CA-C-O 120.7 0.286 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -84.59 -35.58 22.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.663 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mt -47.87 -63.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -61.74 -45.16 95.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -53.22 -39.21 63.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.05 -28.08 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.107 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -35.55 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.9 -29.98 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.8 t -50.75 136.48 26.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.495 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -79.33 129.64 8.71 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.504 2.136 . . . . 0.0 111.928 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.27 -27.96 6.2 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.88 144.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' TYR . 2.8 m -96.96 -42.95 7.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.849 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.93 174.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.35 135.82 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.259 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.65 147.48 41.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 23.4 tp -120.51 156.0 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.438 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.88 133.6 55.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.404 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -116.79 47.63 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.44 -48.89 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.5 t -132.33 29.99 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.285 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 m 50.21 80.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.4 HG23 ' NE2' ' A' ' 48' ' ' HIS . 4.1 m -136.51 150.69 48.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.15 0.5 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.94 120.9 38.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.4 ' NE2' HG23 ' A' ' 46' ' ' THR . 16.6 m-70 -118.46 144.21 46.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.122 0.487 . . . . 0.0 111.049 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.415 HD13 HD12 ' A' ' 64' ' ' LEU . 15.1 mm -119.13 143.14 31.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' THR . 5.3 m-30 -115.2 103.69 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.57 174.42 21.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.34 29.14 3.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.7 117.59 4.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.295 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -55.11 -28.35 51.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -71.09 -55.9 7.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.79 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -50.32 -31.67 8.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.451 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -79.27 -40.89 29.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.147 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -43.85 95.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.154 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.18 78.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.176 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.11 -32.06 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -52.57 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.25 -36.66 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.309 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.415 HD12 HD13 ' A' ' 49' ' ' ILE . 19.2 mt -62.55 -76.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.398 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.121 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -93.92 -29.16 15.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -126.43 107.13 9.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 110.964 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -131.95 167.63 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.889 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -144.38 146.83 32.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 110.781 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 7.7 pt20 -126.81 118.6 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.079 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -149.94 152.15 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.486 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 pt -81.45 -174.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.04 72.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.544 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 43.9 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.055 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -108.14 -28.9 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.215 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.28 -52.05 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.321 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.13 27.61 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.535 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.4 tpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.289 179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.795 0.331 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -78.08 -24.47 47.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.12 -46.74 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -65.6 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.625 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.55 -47.68 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.464 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.85 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.199 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -72.59 -36.37 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.158 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -34.28 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.308 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.13 122.71 24.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -76.64 100.59 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.327 2.018 . . . . 0.0 112.184 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.51 -46.73 0.23 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.7 m -55.44 172.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.11 -41.27 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.76 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.38 170.63 4.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.307 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 tt -138.14 144.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -160.14 163.66 33.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.861 0.362 . . . . 0.0 110.718 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 46' ' ' THR . 33.8 tp -119.91 149.23 42.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.742 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -122.17 144.97 48.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 110.926 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -103.38 -39.35 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.192 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.98 -57.21 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.226 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -81.32 -20.25 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.455 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.3 m 56.26 84.89 0.08 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.423 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 10.7 t -172.49 -169.95 0.65 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -117.87 135.58 54.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -118.25 128.26 54.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.587 0.708 . . . . 0.0 111.019 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.2 mm -120.9 136.21 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.319 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -119.63 134.54 55.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.05 141.83 7.17 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -77.64 -19.19 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.591 0.234 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.28 114.73 24.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.752 0.31 . . . . 0.0 110.358 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -50.18 -50.36 49.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -52.59 -40.55 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.52 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.48 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.81 -36.1 76.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -66.93 -38.65 86.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.28 -59.47 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -54.77 -25.59 28.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.37 -34.62 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -88.53 -29.05 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 mt -88.22 54.07 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.348 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.383 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.933 0.396 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -29.78 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.51 148.35 46.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 0.0 110.387 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 20.3 p-80 -154.99 179.24 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.309 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -148.44 139.76 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -136.64 113.1 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.392 179.409 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 61' ' ' ARG . 21.9 p90 -136.29 135.03 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.4 pt -59.3 141.5 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.274 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.3 t -126.47 137.65 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.322 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.78 140.06 51.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -56.56 -35.78 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.45 -31.26 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -107.74 36.59 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.372 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.352 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.377 0.132 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -85.54 -66.17 0.93 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.1 pt -53.84 -42.66 53.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -52.56 -46.27 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.668 0.27 . . . . 0.0 111.008 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -58.32 -48.05 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.43 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.6 -30.36 63.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.337 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -78.01 -39.03 43.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -61.95 -28.74 69.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.658 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.13 128.3 89.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.74 76.27 4.38 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.398 2.066 . . . . 0.0 112.144 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 36' ' ' THR . . . -171.86 -46.35 0.04 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -58.56 83.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.8 t -51.13 -25.43 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.417 ' N ' HG21 ' A' ' 36' ' ' THR . . . 178.06 144.56 0.11 Allowed 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.31 141.15 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.71 161.14 39.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD12 ' CE1' ' A' ' 47' ' ' PHE . 18.4 tp -121.48 153.14 38.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.442 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 2.1 m-20 -119.37 161.7 20.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.696 0.284 . . . . 0.0 110.386 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -130.51 -49.39 1.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.567 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.58 -33.29 60.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.572 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 t -109.96 -21.38 12.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 81.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 47' ' ' PHE . 32.7 m -157.52 168.44 27.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.97 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CE1' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -116.21 127.7 54.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.414 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -117.67 129.77 55.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.53 0.681 . . . . 0.0 110.99 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 4.6 mm -119.47 133.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.611 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' THR . 15.2 m-85 -117.9 112.18 19.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.0 110.376 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.46 176.12 21.6 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -107.08 -24.82 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -113.95 131.19 56.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.375 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -55.74 -36.61 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.26 -31.81 73.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.35 -44.87 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 6' ' ' GLU . 38.9 t -64.85 -32.51 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -52.51 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.2 -33.3 52.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.258 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.26 -57.41 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HG3' ' CE1' ' A' ' 8' ' ' PHE . 4.0 ttp180 -55.48 -28.27 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.244 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -46.72 86.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.127 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -76.13 -24.15 54.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.416 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 64' ' ' LEU . 6.2 mp -107.06 61.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.365 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.879 0.371 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -81.85 -16.15 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -121.03 132.09 54.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.854 0.359 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CD2' ' NE2' ' A' ' 7' ' ' GLN . 53.7 p-80 -152.19 155.92 38.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.447 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -129.53 150.32 50.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.686 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.444 ' NE2' ' CD2' ' A' ' 5' ' ' HIS . 11.2 mp0 -129.86 149.44 51.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.058 0.456 . . . . 0.0 111.317 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -175.74 132.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.907 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 pt -59.21 170.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.564 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 m -148.28 105.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.377 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -54.61 151.36 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.166 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -30.97 71.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.53 31.21 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.192 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.84 -39.63 81.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.272 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mt -55.65 -30.92 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.165 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -82.88 -45.18 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -58.91 -50.84 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.08 95.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.44 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -64.08 -34.85 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.368 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -67.74 -25.99 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.315 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.38 139.68 66.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -78.91 87.62 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.543 2.162 . . . . 0.0 112.138 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.08 -51.82 0.15 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.93 115.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' TYR . 16.7 p -78.57 -33.87 47.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.014 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.72 145.29 12.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.611 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 tt -120.73 129.59 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.116 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.53 -162.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 46' ' ' THR . 1.1 pt? -152.83 -167.59 2.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.835 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.91 132.07 54.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.14 55.33 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.052 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -143.24 -68.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.7 t -107.79 27.85 8.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.1 t 46.48 85.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.935 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 3.7 m -147.0 154.87 41.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.32 135.75 53.82 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -120.72 140.17 52.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 111.429 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 14.3 mm -124.82 129.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' THR . 37.3 m-85 -118.9 100.94 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.725 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.54 174.36 15.95 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -115.44 43.15 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 110.418 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.42 119.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.14 -26.53 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.133 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.61 51.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.448 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.37 -45.04 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.7 t -60.65 -33.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.9 -33.25 57.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -71.5 -33.85 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.02 -35.91 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.324 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -43.74 72.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -31.72 61.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.13 -25.67 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.2 mt -97.23 35.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.463 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.287 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -166.74 -35.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -117.58 94.29 4.48 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 38.9 p-80 -119.59 160.94 21.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.877 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.15 143.44 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.829 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.98 135.93 48.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -169.86 136.54 1.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 pt -66.38 142.91 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.321 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 47' ' ' PHE . 33.1 m -124.5 167.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.52 154.46 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.192 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.12 -38.01 62.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.36 -28.06 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.7 39.24 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.302 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.416 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.757 0.313 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -62.68 -29.75 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.417 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.422 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 4.2 mt -73.74 -42.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.58 -27.48 64.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -72.65 -49.72 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.43 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.33 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -38.24 67.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -32.72 55.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.456 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 t -56.97 136.14 79.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -75.27 115.49 4.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.086 . . . . 0.0 111.935 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HA2' ' A' ' 51' ' ' GLY . . . 144.29 -24.39 2.04 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.9 111.19 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.986 0.422 . . . . 0.0 111.058 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 50' ' ' TYR . 9.2 t -74.77 -23.55 58.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.569 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.403 ' N ' HG21 ' A' ' 36' ' ' THR . . . -178.17 165.3 1.87 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tt -139.93 134.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.416 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.47 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 20.1 p-10 -157.94 -169.18 2.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -158.93 -162.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.196 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.76 130.0 20.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.447 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.51 -41.3 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -30.8 62.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.7 -22.27 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.748 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.4 t 65.96 49.82 1.57 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.113 0.482 . . . . 0.0 110.074 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 15.5 m -136.92 166.91 22.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.715 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.49 ' CD1' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -117.93 140.86 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.66 125.07 44.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.428 0.632 . . . . 0.0 111.509 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.443 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 5.7 mm -118.99 129.76 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CE2' ' OD1' ' A' ' 39' ' ' ASP . 64.4 m-85 -114.71 118.31 33.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 0.0 110.725 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -139.89 179.87 18.47 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.0 34.44 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.233 0.539 . . . . 0.0 110.237 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -170.76 108.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.202 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -49.49 -27.04 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -42.48 86.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.452 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -42.45 26.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.42 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.2 t -51.26 -52.32 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -45.87 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -43.22 93.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.261 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.39 83.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -31.74 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 11.3 t -68.51 -33.13 73.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.391 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.92 -31.8 63.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 26' ' ' ILE . 34.3 mt -83.81 -62.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 62' ' ' SER . 18.1 mt-10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 p . . . . . 0 CA--C 1.523 -0.094 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 2' ' ' SER . 1.6 tpt180 88.65 -25.5 0.08 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.357 0.663 . . . . 0.0 111.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 96.8 m-85 -120.9 89.77 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.071 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.478 ' CD2' ' NE2' ' A' ' 7' ' ' GLN . 31.2 p-80 -124.3 172.5 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.81 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -154.51 139.14 16.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.844 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.478 ' NE2' ' CD2' ' A' ' 5' ' ' HIS . 12.5 mp0 -119.79 140.31 50.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -160.37 163.63 33.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.331 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -101.27 149.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.82 165.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -99.8 152.26 20.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.358 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.38 -33.22 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.63 -54.21 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.95 35.83 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.371 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.426 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -53.89 -41.2 67.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.84 -36.43 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.133 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -72.81 -37.53 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.255 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -56.78 -48.85 76.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.235 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.41 -27.73 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.185 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.32 -43.83 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.404 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -52.41 -30.95 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.5 t -54.91 129.57 65.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.89 66.06 8.21 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.428 2.086 . . . . 0.0 112.045 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.62 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.67 100.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -36.37 72.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.33 149.74 30.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.16 136.23 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.057 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.2 151.65 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.1 tp -120.54 149.73 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.023 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.84 122.44 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.635 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -106.99 44.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.202 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.09 -62.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.261 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.96 23.11 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.2 t 46.73 36.46 3.81 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.381 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.15 163.86 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.235 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.74 129.3 24.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.08 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -119.63 127.83 53.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.187 0.518 . . . . 0.0 111.064 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 14.7 mm -120.59 126.66 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.954 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 5' ' ' HIS . 74.3 m-85 -116.88 101.27 8.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.145 0.498 . . . . 0.0 110.629 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.5 169.21 12.79 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -98.38 -20.85 16.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.588 0.233 . . . . 0.0 110.857 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -125.71 128.4 47.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 110.302 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.48 -41.72 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.361 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.67 -35.35 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.44 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.06 -37.12 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.456 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.25 -38.05 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.493 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -73.72 -46.68 44.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -33.38 69.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.81 -27.9 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -31.72 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.253 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -77.43 -42.9 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -56.01 -51.13 68.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 mt -51.67 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.456 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' OXT' ' CG ' ' A' ' 65' ' ' GLU . 14.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.415 ' HB2' HG23 ' A' ' 36' ' ' THR . 1.8 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.746 0.308 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -130.79 -39.78 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER -119.91 136.87 54.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 36.1 p-80 -145.75 169.83 17.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.719 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -150.78 130.59 13.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.413 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 111.036 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -146.97 124.39 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.236 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 pt -65.57 144.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.216 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -120.67 139.45 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.86 150.89 46.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.16 -50.41 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.403 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.92 -50.5 70.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.07 60.35 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' OD1' HG13 ' A' ' 26' ' ' ILE . 4.8 p30 -84.55 -46.13 11.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.4 HG13 ' OD1' ' A' ' 25' ' ' ASN . 2.4 mp -56.14 -67.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 0.0 111.265 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -40.74 -42.5 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.774 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 13.4 mm-40 -53.56 -54.45 37.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.47 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -31.98 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.296 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -25.32 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -76.39 -26.29 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.589 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.39 136.28 76.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -77.55 107.51 2.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.501 2.134 . . . . 0.0 112.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.89 -39.6 1.13 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.1 t -58.95 89.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.292 . . . . 0.0 110.35 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 2' ' ' SER . 6.3 t -53.77 -26.45 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.81 0.338 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 178.11 166.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.363 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.1 tt -134.7 151.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.411 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -144.53 151.73 39.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 47' ' ' PHE . 1.3 tt -119.97 144.69 47.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' N ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.06 111.87 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -100.74 -33.69 10.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.096 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -55.38 -40.5 71.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -121.02 20.78 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 42.97 86.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.622 0.248 . . . . 0.0 110.792 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m -159.21 155.23 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.736 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.443 ' CE2' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -118.44 125.3 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.048 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -118.59 127.5 53.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.103 0.478 . . . . 0.0 111.139 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 5.0 mm -120.52 136.25 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.993 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -119.42 120.77 37.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 110.025 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -141.86 146.67 17.9 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -77.23 -35.7 55.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.61 126.57 38.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.191 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.63 -30.87 67.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.337 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.91 -27.02 57.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.98 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.396 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.69 -33.47 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.571 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -70.41 -53.67 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.42 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -60.25 -32.81 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.41 -41.5 69.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -64.34 -36.15 83.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 -24.95 63.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -83.8 -26.83 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.599 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.9 -33.51 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.374 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 26.32 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.617 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.47 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 2.0 m-85 -146.21 78.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.977 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 29.9 p-80 -119.31 169.58 9.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -150.38 136.38 18.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.253 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 139.37 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -158.99 151.28 21.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 pt -75.99 157.75 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.145 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 47' ' ' PHE . 95.3 t -133.23 141.34 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.41 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.33 146.04 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.285 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.25 -26.03 6.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -67.33 -42.99 82.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.422 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -110.08 35.12 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.407 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -81.41 -37.87 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.29 -46.49 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.35 -24.93 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.686 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -77.56 -44.58 28.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.23 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.64 -29.84 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.214 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -80.11 -29.36 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.362 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -28.82 67.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.42 134.37 81.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.366 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.9 99.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.438 2.092 . . . . 0.0 111.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.96 -47.86 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.7 t -56.5 109.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.645 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' TYR . 21.9 p -59.53 -51.62 69.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.328 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.17 156.39 19.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.5 tt -119.77 141.15 41.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.605 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -141.84 150.37 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.347 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.85 153.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.156 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.84 113.13 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.363 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -100.08 30.08 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.758 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.71 -40.5 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.405 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -129.01 22.03 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 47.72 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.463 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m -160.84 160.44 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CD1' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -120.7 128.92 53.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.231 179.22 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.59 126.14 50.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.495 0.665 . . . . 0.0 111.285 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 24.2 mm -119.4 130.26 74.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' THR . 93.2 m-85 -116.08 95.76 5.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.105 0.478 . . . . 0.0 110.567 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.73 177.1 18.68 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -114.28 -33.49 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.19 148.44 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.169 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.47 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 2.1 mp0 -62.94 -54.65 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.269 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.19 70.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.4 80.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.659 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 t -74.51 -46.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.589 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -62.05 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -49.41 -47.02 48.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -60.43 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.497 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -60.35 -28.13 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -42.11 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.566 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -75.38 -38.04 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 6.7 mp -94.49 47.81 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.382 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.517 0.199 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.41 -45.62 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 109.981 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -122.72 104.8 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 49.4 p-80 -130.94 149.52 52.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -122.47 146.8 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.634 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -126.46 140.98 52.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.996 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -157.54 158.56 35.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 pt -103.67 140.75 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' A' ' 47' ' ' PHE . 35.6 m -137.62 135.28 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -70.23 170.1 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.03 -27.62 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.9 -43.01 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.371 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.18 -15.7 61.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.796 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.767 0.318 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -81.98 -41.94 20.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.455 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 27' ' ' GLN . 13.4 pt -54.69 -33.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.304 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 26' ' ' ILE . 42.0 mt-30 -73.42 -47.36 42.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -56.69 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.89 -36.5 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -33.28 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -67.33 -36.76 82.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.67 139.06 81.98 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.257 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -77.12 103.71 1.79 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.409 2.073 . . . . 0.0 111.994 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.97 -55.26 0.36 Allowed Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -55.31 102.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.382 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -78.72 -25.5 44.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.04 161.21 6.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.106 0.479 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 tt -128.79 138.23 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.546 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.25 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 111.289 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 24.9 tp -120.77 158.99 26.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.706 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD1' ' CD2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -119.3 128.77 54.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.519 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -93.77 -61.43 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.936 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.18 -62.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.3 m -107.33 96.12 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.275 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.5 t -42.19 102.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.332 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -153.97 162.06 41.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CD2' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -121.44 127.24 50.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.212 179.577 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 37.7 m-70 -119.74 132.9 55.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.7 mm -119.51 132.33 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.94 102.85 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 0.0 111.434 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.22 168.17 14.78 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -105.31 -21.65 13.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.7 0.286 . . . . 0.0 110.398 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -107.22 125.22 50.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.191 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -53.6 -28.58 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.416 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.54 -29.56 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -32.48 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.586 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 t -67.73 -46.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -64.25 -58.41 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -51.13 -46.97 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.62 80.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.473 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.79 -39.91 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -54.17 50.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.26 -59.12 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.4 mt -49.4 -39.93 34.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.369 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.732 0.301 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -76.89 -40.45 47.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.78 153.94 45.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.527 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 8.7 p-80 -156.98 175.95 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.238 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -147.06 134.21 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.96 115.47 19.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.464 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.459 ' CE2' ' HG3' ' A' ' 61' ' ' ARG . 30.0 p90 -134.5 138.96 45.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.638 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 pt -74.05 135.53 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.8 142.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.815 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -170.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.52 -41.2 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.244 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -64.93 -45.26 86.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.31 31.37 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.341 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.769 0.319 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -84.32 -44.4 13.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 27' ' ' GLN . 21.5 pt -60.63 -36.3 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.982 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.425 ' N ' HG13 ' A' ' 26' ' ' ILE . 25.8 tt0 -65.87 -39.59 90.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.695 0.283 . . . . 0.0 110.74 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -59.41 -39.1 82.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.432 ' CB ' HD12 ' A' ' 64' ' ' LEU . . . -69.35 -27.08 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.17 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -84.2 -26.88 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -71.41 -30.93 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.29 136.62 96.78 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.39 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.53 95.94 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.551 2.167 . . . . 0.0 112.048 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.91 -51.97 0.23 Allowed Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.1 t -54.32 153.82 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.418 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.3 p -115.14 -36.29 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.262 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -167.76 174.14 7.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.5 tt -151.21 150.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.68 170.14 17.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 tt -130.43 143.15 50.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.4 ' CB ' ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -119.87 114.08 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.352 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -100.95 -21.82 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.608 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -50.05 -43.38 50.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.827 0.346 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 t -135.93 29.2 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.369 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 50.08 81.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.812 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.4 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 3.1 m -144.2 156.57 44.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.44 133.97 55.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -119.52 129.23 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.851 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 18.2 mm -119.77 132.52 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.807 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -117.88 96.26 5.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.95 0.405 . . . . 0.0 110.619 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.78 138.5 10.48 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -20.1 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -117.41 120.11 37.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -56.29 -28.17 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.209 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.66 -45.51 86.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.14 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.419 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.58 -37.72 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.507 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -64.84 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -50.95 -37.97 47.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.07 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 1.9 tmm_? -54.44 -43.21 71.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -41.72 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.803 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.13 -33.47 74.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 29' ' ' ALA . 5.9 mp -95.42 -77.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.596 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' ARG . 19.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.794 0.33 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -37.62 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -120.0 129.24 54.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.09 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 45.5 p-80 -141.54 151.49 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -128.16 130.82 48.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.929 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -119.46 125.13 48.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -141.62 133.29 27.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.263 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 pt -69.86 137.6 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.76 130.13 68.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.319 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HD3' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.44 163.48 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -33.63 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -66.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.422 ' CD1' ' HD3' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -71.34 -20.78 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.7 tpp . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.326 . . . . 0.0 110.715 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLN . . . . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -31.3 -54.25 0.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.61 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.441 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 22.6 mm -53.8 -42.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.065 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' ALA . 9.4 tt0 -63.22 -50.98 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.609 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -46.88 -48.06 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.023 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -34.2 71.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.268 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -74.1 -38.36 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.266 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -57.52 -26.69 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.9 t -54.46 138.49 59.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.265 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -81.18 57.74 6.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.144 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -176.08 40.13 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -141.71 81.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -49.55 -45.56 47.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.563 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.41 165.9 34.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.077 0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.1 tt -141.72 145.78 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.912 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.01 150.96 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.093 0.473 . . . . 0.0 111.085 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 41' ' ' ASP . 2.6 tt -121.66 156.37 33.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.862 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.414 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -119.59 112.81 19.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.01 0.433 . . . . 0.0 110.506 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -98.81 25.37 6.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.34 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.185 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -106.91 23.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.83 78.28 0.07 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.735 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.61 150.44 48.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.467 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.409 ' CZ ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -119.27 122.03 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -118.31 128.73 54.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.173 0.511 . . . . 0.0 110.725 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 9.7 mm -119.56 130.17 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -117.24 120.26 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.151 0.501 . . . . 0.0 110.393 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.75 -153.77 6.75 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -128.4 -41.24 1.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.626 0.251 . . . . 0.0 110.672 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -102.37 127.87 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -57.13 -26.02 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.45 -41.43 63.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.432 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -63.62 -54.71 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.739 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -49.09 -40.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.575 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -57.66 -41.92 82.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.77 -42.7 90.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.48 76.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.71 -32.21 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 t -64.25 -42.71 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -72.55 -21.12 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' ' 26' ' ' ILE . 88.4 mt -94.97 32.75 1.61 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.802 0.334 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.42 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.836 0.351 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.76 -39.83 9.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -119.82 147.34 44.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.283 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.389 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -120.01 158.36 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.143 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -141.69 136.91 31.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.029 0.443 . . . . 0.0 110.971 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.421 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 5.6 p90 -160.32 131.41 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.175 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 pt -66.19 138.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' A' ' 47' ' ' PHE . 96.1 t -123.05 151.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.411 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -84.04 147.46 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.266 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.4 -35.32 63.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.16 31.09 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.374 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -46.74 -54.3 10.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.066 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.4 mt -70.3 -36.23 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.542 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -44.47 73.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.614 0.245 . . . . 0.0 110.635 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.218 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.82 -42.29 84.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -71.02 -38.59 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.23 -34.75 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.246 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.43 ' CG1' ' HD2' ' A' ' 33' ' ' PRO . 46.5 t -56.18 139.85 71.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.235 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.43 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 48.0 Cg_endo -75.94 118.24 4.96 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.456 2.104 . . . . 0.0 112.086 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.07 -36.42 2.21 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.3 t -57.19 89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.383 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p -58.89 -40.3 84.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.333 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.73 -177.13 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -144.45 141.29 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.86 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.22 172.61 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.074 0.464 . . . . 0.0 110.987 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.33 149.82 30.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.739 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.24 109.15 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.435 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -83.28 -31.74 26.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.659 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.48 -59.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 m -70.76 -26.93 63.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 t 71.9 71.94 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 m -151.25 171.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.659 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.43 ' CD2' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -117.82 130.0 56.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.429 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -119.77 128.83 54.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 111.288 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.4 mm -118.77 133.49 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -115.08 105.56 13.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 110.266 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.2 122.17 3.97 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -29.36 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.262 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 139.53 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.421 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -68.05 -40.58 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.262 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.68 -31.29 71.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.61 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 58' ' ' LYS . 9.5 p -50.46 -46.06 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.493 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 1.3 mmmt -59.33 -46.36 88.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.479 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.03 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.401 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.21 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.439 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -57.1 -49.04 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -37.26 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -59.48 -34.46 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.356 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mt -90.73 -26.07 19.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.525 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.776 0.322 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.75 23.34 8.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.679 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.473 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 20.3 m-85 -141.93 72.59 1.38 Allowed 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 41.5 p-80 -119.42 157.06 28.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.844 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.12 146.87 47.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.166 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -121.51 152.84 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.489 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -179.45 150.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.178 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 pt -87.31 151.04 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 0.0 110.775 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.7 m -123.69 118.02 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.09 143.53 17.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -60.88 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.266 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -53.12 -29.2 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.374 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.45 36.8 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.426 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -81.86 -50.94 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mt -56.12 -64.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.81 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -47.06 -37.71 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.419 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -68.26 -44.04 76.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.5 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -70.44 -38.7 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.285 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -54.14 -40.67 67.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 33' ' ' PRO . 45.2 t -51.95 139.18 33.32 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 47.3 Cg_endo -73.92 134.17 19.39 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.489 2.126 . . . . 0.0 111.966 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.77 1.08 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -57.73 130.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.53 -26.95 15.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.21 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.76 175.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.984 0.421 . . . . 0.0 111.059 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -119.52 135.05 61.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.616 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.15 136.84 50.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.472 . . . . 0.0 111.125 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 6.8 tp -127.83 150.68 49.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.38 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 119.57 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 111.089 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.38 -76.36 0.06 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' CYS . 2.2 m-20 -47.87 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.386 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -63.1 81.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.061 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ASP . 49.0 t -48.82 90.08 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.715 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.3 t -157.92 174.39 15.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.109 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.3 134.97 54.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -119.87 138.69 53.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.085 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 22.2 mm -119.28 137.33 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -116.4 93.62 4.3 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.417 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.91 162.32 17.98 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -102.88 -24.06 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.628 0.252 . . . . 0.0 110.593 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.48 170.11 9.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.867 0.365 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.473 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -83.84 -57.3 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.424 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 -29.0 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.1 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.27 -44.76 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.36 -45.16 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -52.25 56.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.28 -40.06 64.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.529 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 4.3 ttp180 -65.13 -32.48 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 t -70.25 -37.27 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.35 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.77 -29.62 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.437 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.3 mm-40 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.358 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 4' ' ' PHE . 5.6 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.801 0.334 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.36 -66.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -119.87 137.34 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -157.66 160.25 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.2 127.46 19.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.151 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 15.9 pt20 -120.14 131.25 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.93 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -147.37 162.18 39.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.305 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.8 pt -90.43 151.68 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.6 t -123.49 142.53 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.01 135.71 51.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -46.81 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.35 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -57.46 -52.7 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.36 49.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -86.28 -52.47 5.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 111.625 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -45.9 -61.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -50.73 -44.12 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.723 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 79.0 mm-40 -48.32 -50.43 30.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.642 0.258 . . . . 0.0 110.962 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.29 -39.46 79.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.8 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -68.58 -30.11 68.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -28.03 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.654 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.28 128.54 78.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.06 62.84 7.58 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.53 2.153 . . . . 0.0 112.065 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -178.35 38.17 0.08 OUTLIER Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.3 t -130.6 93.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.306 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -26.32 60.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.454 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 176.98 161.79 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.875 0.369 . . . . 0.0 110.751 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 tt -132.59 126.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.04 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -129.81 153.6 48.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.116 0.484 . . . . 0.0 111.032 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.9 tp -123.76 159.15 30.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.586 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.35 129.13 55.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.914 0.387 . . . . 0.0 110.073 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -91.36 -62.6 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -31.5 4.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.887 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' THR . 99.2 m -131.33 106.38 8.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 37.0 t -49.23 92.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' THR . 27.8 m -152.92 158.89 42.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.313 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -119.14 130.13 55.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.392 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -119.16 130.19 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.129 0.49 . . . . 0.0 110.671 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 mm -118.92 135.01 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.64 108.01 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.39 133.38 5.58 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -58.87 -31.5 68.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.674 0.273 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.83 154.8 22.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.587 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 23.1 pt20 -82.68 -38.04 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.983 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 2.8 t0 -56.08 -41.16 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.428 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -69.16 -43.75 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.372 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.2 -33.39 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.48 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -37.07 74.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -79.37 -28.44 41.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.144 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.04 32.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.275 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.9 OUTLIER -63.43 -25.51 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.35 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -69.48 -30.49 68.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 0.0 109.976 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.59 -49.52 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.161 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.35 -65.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.43 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 36' ' ' THR . 2.4 p -122.34 78.43 1.5 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.905 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.0 -0.68 38.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.269 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -124.05 87.88 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 53.3 p-80 -120.54 168.32 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.919 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.55 141.73 25.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.53 141.74 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.245 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -160.25 134.42 7.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.73 143.28 13.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.251 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.88 122.56 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.25 152.51 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.16 -42.98 99.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -57.94 -43.82 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.54 46.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.366 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -86.31 -44.26 12.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.449 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.84 53.14 0.01 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 tp -110.62 88.78 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.247 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.22 73.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.416 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 19' ' ' ILE . 50.6 mm -58.35 105.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.212 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.74 -31.89 0.18 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 p 59.18 -164.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.399 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.1 m80 64.37 48.73 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.31 89.2 0.89 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.65 151.27 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -63.92 -29.54 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.384 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 mp -73.28 -53.01 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.499 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -62.78 -50.81 69.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -50.21 -51.73 41.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.23 -30.48 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.415 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -33.67 41.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.75 68.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.429 ' CG1' ' HD2' ' A' ' 33' ' ' PRO . 57.7 t -51.76 140.08 29.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.429 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 47.2 Cg_endo -74.74 107.74 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.514 2.143 . . . . 0.0 112.266 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.84 -46.03 0.82 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.89 122.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.422 HG22 ' HB3' ' A' ' 2' ' ' SER . 15.3 t -95.46 -21.29 18.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.54 162.25 2.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 tt -136.27 141.32 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.95 144.03 48.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.461 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.475 HD13 ' CE2' ' A' ' 47' ' ' PHE . 6.2 tt -122.07 138.11 54.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.39 125.11 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -103.56 -43.73 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.12 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.44 60.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.948 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -87.66 -18.21 30.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 t 70.57 49.65 0.4 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m -138.32 159.92 40.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.475 ' CE2' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.44 132.9 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.696 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -120.02 134.26 55.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.232 0.539 . . . . 0.0 110.655 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.436 HD13 ' CD1' ' A' ' 64' ' ' LEU . 6.0 mm -119.79 133.11 67.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.124 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.96 117.98 30.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.185 0.517 . . . . 0.0 110.152 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.01 -171.08 13.26 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.086 -1.205 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -132.44 31.68 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.76 120.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.478 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.1 -42.54 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.264 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.15 -62.06 2.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.456 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.57 -43.98 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 67.9 t -64.15 -43.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.519 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -64.44 -27.86 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -77.15 -49.99 13.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.16 -30.68 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -38.66 56.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -67.7 -28.26 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -83.49 -44.62 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.436 ' CD1' HD13 ' A' ' 49' ' ' ILE . 13.3 mt -56.94 -38.68 73.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.493 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -132.58 160.17 37.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.393 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -82.37 -42.79 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.227 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.87 160.78 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 19.3 p-80 -156.41 171.72 19.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.086 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.11 135.63 25.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.43 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 1.7 pp0? -126.85 124.15 38.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -150.49 148.53 28.83 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.283 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -77.51 149.89 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.63 149.83 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -74.56 150.09 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.32 -42.13 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.443 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.475 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -105.27 40.88 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.295 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -28.88 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.29 50.95 0.41 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.55 53.76 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 110.235 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.25 67.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.412 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.6 mm -84.33 82.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.263 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.49 -64.51 0.2 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.2 p -151.35 -59.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.393 . . . . 0.0 110.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -172.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.701 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.421 ' O ' ' HB2' ' A' ' 27' ' ' GLN . . . 169.1 60.28 0.03 OUTLIER Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.452 ' HA ' ' HG2' ' A' ' 28' ' ' GLN . . . -86.12 -1.12 57.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.483 0.182 . . . . 0.0 111.474 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -86.04 0.07 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.9 mt -74.98 -47.45 36.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -177.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.421 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 1.3 mt-30 -50.36 -29.1 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.04 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.452 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 91.1 mm-40 -75.91 -58.4 3.3 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -49.66 -28.76 6.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.276 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -32.56 51.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.537 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -27.4 67.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -51.06 128.03 28.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.369 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.82 96.25 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.411 2.074 . . . . 0.0 112.044 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.411 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . 159.28 -33.44 0.46 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 58.4 t -56.02 130.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.033 0.444 . . . . 0.0 110.401 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 m -93.8 -37.62 11.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.06 166.67 4.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.227 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.1 tt -135.2 145.13 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.088 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.44 151.53 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 110.802 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 39.6 tp -119.93 159.88 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.491 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.427 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.64 111.8 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.1 0.476 . . . . 0.0 110.862 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.41 43.62 1.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.897 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.74 -50.84 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.8 t -132.27 27.88 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 0.0 110.378 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.45 80.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.744 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.1 m -134.74 150.88 50.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.986 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.428 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.69 121.52 40.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -118.04 131.24 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 -178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 20.8 mm -118.97 138.86 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.72 116.28 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.535 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.92 131.18 3.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.26 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.267 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.71 122.65 28.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.252 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -26.41 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.04 -51.13 63.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -61.96 -39.05 90.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -59.85 -43.9 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -57.12 -55.12 38.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.44 -29.73 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.93 76.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.526 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -37.09 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 t -61.09 -33.48 73.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -75.63 -44.06 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.89 -17.97 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.814 0.34 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.57 170.28 8.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.307 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -114.52 -22.21 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -120.33 124.21 45.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 110.434 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 p-80 -142.88 178.78 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.484 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -160.31 143.31 13.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.33 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 4.7 pt20 -121.25 137.0 54.88 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.443 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 44.5 p90 -157.99 131.73 7.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.9 pt -67.78 179.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.471 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 m -152.44 149.23 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.274 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -72.28 143.03 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -67.64 -42.09 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.33 -27.11 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.06 28.18 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -60.14 2.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.71 87.21 0.16 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 177.59 103.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 110.28 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.7 154.46 36.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.45 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mm -98.62 -60.62 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.23 -92.86 0.25 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -27.05 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.656 0.265 . . . . 0.0 110.563 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.24 118.79 14.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.168 179.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.81 168.92 39.89 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 74.18 60.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.141 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -84.87 -68.19 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mt -65.7 -32.53 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.188 -178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.64 -55.48 9.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 111.111 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -52.19 -46.92 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -40.13 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.337 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -71.64 -43.16 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -25.75 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.629 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.2 t -59.75 133.36 89.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.328 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -81.28 117.09 3.1 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 111.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.77 -39.5 1.56 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.76 134.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -90.48 -48.6 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.04 167.0 16.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 tt -132.74 149.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -160.07 166.21 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tp -131.81 149.11 52.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.961 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.65 143.97 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.81 -37.13 8.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.461 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -60.37 3.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.01 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -25.75 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.64 77.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.683 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -157.16 -168.29 2.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.706 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.82 131.22 56.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.51 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -118.03 124.21 47.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.518 0.675 . . . . 0.0 111.469 -178.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.0 mm -119.79 129.97 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.141 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' O ' ' CB ' ' A' ' 36' ' ' THR . 6.9 m-85 -118.81 93.12 3.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.885 0.374 . . . . 0.0 110.308 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.9 159.23 14.81 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -98.57 30.51 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.993 0.425 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.34 126.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.092 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.31 -24.77 30.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.2 51.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.716 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.46 -42.02 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.705 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 58' ' ' LYS . 9.8 p -65.33 -46.38 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.598 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 17.9 mmtm -59.91 -46.02 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.633 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -55.64 -39.96 71.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -32.65 73.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.603 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 1.1 tmm_? -67.42 -47.15 71.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.524 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 t -54.72 -35.37 63.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.448 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -83.33 -30.23 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.419 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 41.1 mt -89.55 51.22 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.416 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.789 0.328 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -134.05 170.2 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.842 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.31 -40.88 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.18 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 123.46 41.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.72 0.295 . . . . 0.0 110.314 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.49 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 22.8 p-80 -141.9 171.1 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.066 0.46 . . . . 0.0 111.154 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -150.06 140.39 22.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.798 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -120.22 141.89 49.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 111.03 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -165.81 145.38 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.6 pt -84.62 145.73 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -132.92 136.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.226 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.26 -179.58 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -50.63 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.259 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.61 -38.96 84.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.225 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.15 -31.1 71.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.184 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -53.53 45.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.28 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.26 113.74 1.42 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.81 126.17 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.547 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -169.16 -175.67 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.245 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.411 ' O ' ' NE2' ' A' ' 22' ' ' HIS . 30.1 mm -117.96 89.68 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.137 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.42 32.71 1.2 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 p 48.41 49.13 18.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.767 0.318 . . . . 0.0 110.562 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.411 ' NE2' ' O ' ' A' ' 19' ' ' ILE . 60.7 m170 -61.97 -57.27 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.709 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.55 76.77 0.19 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -144.83 38.44 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.239 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -85.39 -57.1 3.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.047 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.0 mt -71.67 -43.23 70.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.856 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.0 -33.76 69.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.432 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 48.5 mm-40 -70.62 -49.53 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.537 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.14 -42.32 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -32.08 72.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.416 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -52.29 131.08 42.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.15 110.23 2.98 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.339 2.026 . . . . 0.0 111.969 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.06 -38.23 1.12 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.29 124.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.653 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.8 p -87.82 -37.76 16.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.176 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -174.57 148.07 1.14 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.433 HG13 ' CD1' ' A' ' 49' ' ' ILE . 12.0 tt -129.58 153.07 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.279 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -160.95 169.42 22.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.927 0.394 . . . . 0.0 111.077 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 tp -119.16 155.31 31.85 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.61 139.57 51.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 110.558 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.08 -53.4 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.21 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.74 -35.4 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 m -97.95 -23.02 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 56.71 63.95 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 41.4 m -147.42 167.46 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -116.24 123.55 48.01 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -117.51 132.52 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.321 0.581 . . . . 0.0 110.654 -178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.49 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.0 mm -120.34 131.86 71.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' THR . 28.1 m-85 -115.31 119.11 35.22 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.41 -174.77 15.94 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.48 29.83 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.55 114.01 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.122 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.21 -29.44 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.469 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.37 -31.77 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -79.17 -46.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -33.96 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.329 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -38.92 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.245 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.26 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.398 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -45.91 83.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.53 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -54.71 -39.3 68.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.52 -42.38 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.449 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.414 HD12 HD13 ' A' ' 49' ' ' ILE . 12.1 mt -68.15 -42.5 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.406 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 120.81 0.338 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p -77.87 125.48 29.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -86.08 -21.79 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.124 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.1 145.63 45.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -138.21 166.38 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.612 0.72 . . . . 0.0 112.106 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -144.05 106.34 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.543 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 6.2 pt20 -118.54 125.76 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 111.648 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -147.39 162.03 39.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.38 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pt -93.37 136.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.072 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.3 139.08 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -65.99 139.29 58.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -51.32 -35.66 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.99 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.12 36.72 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.2 ttm -74.99 -37.39 61.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.5 64.64 0.04 OUTLIER Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.3 mt -90.76 -69.43 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 110.171 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 66.66 -69.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.649 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.3 mm 47.92 62.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.06 83.54 1.54 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 m -157.66 115.01 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.337 . . . . 0.0 110.52 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -84.42 74.92 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.221 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.09 77.62 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -108.23 153.68 22.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 0.0 110.35 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -84.59 -35.58 22.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.663 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mt -47.87 -63.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -61.74 -45.16 95.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -53.22 -39.21 63.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.05 -28.08 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.107 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -35.55 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.9 -29.98 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.8 t -50.75 136.48 26.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.495 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -79.33 129.64 8.71 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.504 2.136 . . . . 0.0 111.928 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.27 -27.96 6.2 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.88 144.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' TYR . 2.8 m -96.96 -42.95 7.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.849 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.93 174.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.35 135.82 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.259 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.65 147.48 41.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.438 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 23.4 tp -120.51 156.0 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.88 133.6 55.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.404 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -116.79 47.63 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.44 -48.89 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.5 t -132.33 29.99 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.285 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 m 50.21 80.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.4 HG23 ' NE2' ' A' ' 48' ' ' HIS . 4.1 m -136.51 150.69 48.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.15 0.5 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.435 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.94 120.9 38.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.4 ' NE2' HG23 ' A' ' 46' ' ' THR . 16.6 m-70 -118.46 144.21 46.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.122 0.487 . . . . 0.0 111.049 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.415 HD13 HD12 ' A' ' 64' ' ' LEU . 15.1 mm -119.13 143.14 31.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' THR . 5.3 m-30 -115.2 103.69 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -136.57 174.42 21.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.34 29.14 3.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.7 117.59 4.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.295 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -55.11 -28.35 51.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -71.09 -55.9 7.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.79 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.7 t -50.32 -31.67 8.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.451 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -79.27 -40.89 29.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.147 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -43.85 95.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.154 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.18 78.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.176 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.11 -32.06 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -52.57 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.25 -36.66 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.309 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.415 HD12 HD13 ' A' ' 49' ' ' ILE . 19.2 mt -62.55 -76.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.398 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 120.842 0.353 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -53.11 176.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.107 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -93.92 -29.16 15.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -126.43 107.13 9.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 110.964 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -131.95 167.63 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.889 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -144.38 146.83 32.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 110.781 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 7.7 pt20 -126.81 118.6 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.079 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -149.94 152.15 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.486 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 pt -81.45 -174.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.04 72.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.544 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 43.9 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.055 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -108.14 -28.9 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.215 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.28 -52.05 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.321 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.13 27.61 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.535 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.4 tpt -66.28 -58.35 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.74 61.23 0.04 OUTLIER Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.15 81.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.35 137.18 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.408 HD11 HG22 ' A' ' 19' ' ' ILE . 16.7 mm -111.74 82.62 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.324 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.59 118.73 0.01 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.6 m -113.51 -50.02 2.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.226 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.51 -75.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.25 -36.23 3.67 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.63 133.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.262 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -78.08 -24.47 47.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 mp -56.12 -46.74 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -65.6 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.625 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.55 -47.68 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.464 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.85 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.199 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -72.59 -36.37 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.158 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -34.28 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.308 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.13 122.71 24.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -76.64 100.59 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.327 2.018 . . . . 0.0 112.184 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.51 -46.73 0.23 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.7 m -55.44 172.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.11 -41.27 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.76 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.38 170.63 4.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.307 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 tt -138.14 144.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -160.14 163.66 33.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.861 0.362 . . . . 0.0 110.718 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.423 ' CD1' ' O ' ' A' ' 46' ' ' THR . 33.8 tp -119.91 149.23 42.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.742 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -122.17 144.97 48.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 110.926 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -103.38 -39.35 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.192 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.98 -57.21 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.226 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -81.32 -20.25 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.455 179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.3 m 56.26 84.89 0.08 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.423 ' O ' ' CD1' ' A' ' 40' ' ' LEU . 10.7 t -172.49 -169.95 0.65 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.433 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -117.87 135.58 54.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -118.25 128.26 54.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.587 0.708 . . . . 0.0 111.019 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 13.2 mm -120.9 136.21 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.319 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -119.63 134.54 55.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.05 141.83 7.17 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -77.64 -19.19 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.591 0.234 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.28 114.73 24.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.752 0.31 . . . . 0.0 110.358 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -50.18 -50.36 49.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -52.59 -40.55 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.52 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.48 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 t -65.81 -36.1 76.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.362 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -66.93 -38.65 86.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.28 -59.47 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -54.77 -25.59 28.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.37 -34.62 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -88.53 -29.05 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.5 mt -88.22 54.07 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.348 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.383 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.784 0.326 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 50.13 92.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.933 0.396 . . . . 0.0 110.393 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -29.78 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.51 148.35 46.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 0.0 110.387 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 20.3 p-80 -154.99 179.24 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.309 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -148.44 139.76 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -136.64 113.1 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.392 179.409 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 61' ' ' ARG . 21.9 p90 -136.29 135.03 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.4 pt -59.3 141.5 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.274 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 91.3 t -126.47 137.65 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.322 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.78 140.06 51.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -56.56 -35.78 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.45 -31.26 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -107.74 36.59 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.372 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -76.47 -38.26 55.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.352 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.66 42.56 0.49 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.1 89.93 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.376 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.54 143.55 41.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.397 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.432 ' N ' ' CD1' ' A' ' 19' ' ' ILE . 3.8 mp -86.17 85.92 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.28 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.18 -80.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 p -116.73 45.13 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.268 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -68.4 162.06 26.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.33 38.31 91.28 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -124.39 -33.4 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.377 0.132 . . . . 0.0 111.168 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -85.54 -66.17 0.93 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.1 pt -53.84 -42.66 53.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -52.56 -46.27 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.668 0.27 . . . . 0.0 111.008 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -58.32 -48.05 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.43 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.6 -30.36 63.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.337 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -78.01 -39.03 43.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -61.95 -28.74 69.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.658 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 99.1 t -61.13 128.3 89.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.265 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.74 76.27 4.38 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.398 2.066 . . . . 0.0 112.144 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.419 ' O ' ' N ' ' A' ' 36' ' ' THR . . . -171.86 -46.35 0.04 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.5 t -58.56 83.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.8 t -51.13 -25.43 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.417 ' N ' HG21 ' A' ' 36' ' ' THR . . . 178.06 144.56 0.11 Allowed 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.31 141.15 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.71 161.14 39.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD12 ' CE1' ' A' ' 47' ' ' PHE . 18.4 tp -121.48 153.14 38.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.442 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 2.1 m-20 -119.37 161.7 20.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.696 0.284 . . . . 0.0 110.386 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -130.51 -49.39 1.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.567 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.58 -33.29 60.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.572 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 t -109.96 -21.38 12.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 81.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.415 HG23 ' N ' ' A' ' 47' ' ' PHE . 32.7 m -157.52 168.44 27.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.97 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' CE1' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -116.21 127.7 54.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.414 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -117.67 129.77 55.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.53 0.681 . . . . 0.0 110.99 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 4.6 mm -119.47 133.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.611 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' THR . 15.2 m-85 -117.9 112.18 19.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.0 110.376 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -140.46 176.12 21.6 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -107.08 -24.82 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -113.95 131.19 56.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.375 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -55.74 -36.61 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.26 -31.81 73.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.35 -44.87 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.429 ' CG1' ' HB2' ' A' ' 6' ' ' GLU . 38.9 t -64.85 -32.51 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -52.51 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.2 -33.3 52.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.258 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.26 -57.41 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' HG3' ' CE1' ' A' ' 8' ' ' PHE . 4.0 ttp180 -55.48 -28.27 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.244 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -46.72 86.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.127 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -76.13 -24.15 54.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.416 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.442 HD11 ' N ' ' A' ' 64' ' ' LEU . 6.2 mp -107.06 61.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.365 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 120.784 0.326 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.99 91.45 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.32 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -81.85 -16.15 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -121.03 132.09 54.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.854 0.359 . . . . 0.0 110.391 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CD2' ' NE2' ' A' ' 7' ' ' GLN . 53.7 p-80 -152.19 155.92 38.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.447 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -129.53 150.32 50.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.686 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' NE2' ' CD2' ' A' ' 5' ' ' HIS . 11.2 mp0 -129.86 149.44 51.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.058 0.456 . . . . 0.0 111.317 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -175.74 132.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.907 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 39.7 pt -59.21 170.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.564 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 3.0 m -148.28 105.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.377 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -54.61 151.36 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.166 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -30.97 71.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.53 31.21 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -39.84 67.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.192 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.21 31.73 3.98 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.17 40.24 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.714 0.292 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.98 26.83 9.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.432 HD11 HG22 ' A' ' 19' ' ' ILE . 25.9 mm 45.44 92.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.955 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.91 -119.21 0.04 OUTLIER Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.68 86.41 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 57.62 89.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.52 128.85 4.74 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.55 158.12 19.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.365 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.84 -39.63 81.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.272 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.5 mt -55.65 -30.92 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.165 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -82.88 -45.18 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -58.91 -50.84 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.08 95.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.44 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -64.08 -34.85 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.368 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -67.74 -25.99 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.315 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 57.9 t -55.38 139.68 66.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -78.91 87.62 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.543 2.162 . . . . 0.0 112.138 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.08 -51.82 0.15 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.93 115.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' TYR . 16.7 p -78.57 -33.87 47.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.014 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.72 145.29 12.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.611 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 tt -120.73 129.59 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.116 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.53 -162.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 46' ' ' THR . 1.1 pt? -152.83 -167.59 2.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.835 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.91 132.07 54.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.14 55.33 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.052 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -143.24 -68.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 7.7 t -107.79 27.85 8.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 46.1 t 46.48 85.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.935 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.452 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 3.7 m -147.0 154.87 41.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.32 135.75 53.82 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -120.72 140.17 52.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 111.429 -178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 14.3 mm -124.82 129.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' THR . 37.3 m-85 -118.9 100.94 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.725 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.54 174.36 15.95 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -115.44 43.15 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 110.418 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -173.42 119.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.14 -26.53 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.133 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.61 51.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.448 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.37 -45.04 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.7 t -60.65 -33.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.27 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.9 -33.25 57.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -71.5 -33.85 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.02 -35.91 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.324 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -43.74 72.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -31.72 61.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.13 -25.67 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.2 mt -97.23 35.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.463 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.287 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.08 -163.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.878 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -166.74 -35.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -117.58 94.29 4.48 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.443 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 38.9 p-80 -119.59 160.94 21.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.877 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.15 143.44 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.829 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.98 135.93 48.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -169.86 136.54 1.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.5 pt -66.38 142.91 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.321 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 47' ' ' PHE . 33.1 m -124.5 167.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.52 154.46 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.192 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.12 -38.01 62.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.36 -28.06 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.7 39.24 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.302 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -95.1 -49.62 5.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.416 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 172.32 46.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.29 107.79 11.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.252 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -171.49 149.65 2.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.426 ' N ' HD13 ' A' ' 19' ' ' ILE . 4.3 mp -96.33 72.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.97 175.5 54.95 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.5 m -110.82 90.93 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.5 t60 58.77 28.69 17.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.52 137.95 2.59 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -124.01 -177.42 3.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 110.507 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -62.68 -29.75 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.417 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.422 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 4.2 mt -73.74 -42.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.58 -27.48 64.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -72.65 -49.72 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.43 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.33 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -38.24 67.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -32.72 55.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.456 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 t -56.97 136.14 79.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -75.27 115.49 4.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.086 . . . . 0.0 111.935 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.448 ' O ' ' HA2' ' A' ' 51' ' ' GLY . . . 144.29 -24.39 2.04 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 6.0 t -85.9 111.19 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.986 0.422 . . . . 0.0 111.058 -179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.455 ' CG2' ' HB3' ' A' ' 50' ' ' TYR . 9.2 t -74.77 -23.55 58.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.569 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.403 ' N ' HG21 ' A' ' 36' ' ' THR . . . -178.17 165.3 1.87 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.341 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tt -139.93 134.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.416 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.47 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 20.1 p-10 -157.94 -169.18 2.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.47 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -158.93 -162.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.196 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.76 130.0 20.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.447 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.51 -41.3 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -30.8 62.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.7 -22.27 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.748 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 16.4 t 65.96 49.82 1.57 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.113 0.482 . . . . 0.0 110.074 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.435 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 15.5 m -136.92 166.91 22.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.715 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.49 ' CD1' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -117.93 140.86 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -122.66 125.07 44.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.428 0.632 . . . . 0.0 111.509 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.443 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 5.7 mm -118.99 129.76 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.47 ' CE2' ' OD1' ' A' ' 39' ' ' ASP . 64.4 m-85 -114.71 118.31 33.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 0.0 110.725 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.448 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -139.89 179.87 18.47 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.0 34.44 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.233 0.539 . . . . 0.0 110.237 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -170.76 108.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.202 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -49.49 -27.04 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -42.48 86.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.452 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -42.45 26.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.42 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 40.2 t -51.26 -52.32 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.412 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -45.87 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -43.22 93.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.261 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.39 83.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -31.74 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 11.3 t -68.51 -33.13 73.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.391 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.92 -31.8 63.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 26' ' ' ILE . 34.3 mt -83.81 -62.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 62' ' ' SER . 18.1 mt-10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.804 0.335 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 p -93.36 -53.98 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.16 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 2' ' ' SER . 1.6 tpt180 88.65 -25.5 0.08 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.357 0.663 . . . . 0.0 111.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.412 ' CD1' ' O ' ' A' ' 52' ' ' GLU . 96.8 m-85 -120.9 89.77 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.071 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.478 ' CD2' ' NE2' ' A' ' 7' ' ' GLN . 31.2 p-80 -124.3 172.5 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.81 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -154.51 139.14 16.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.844 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.478 ' NE2' ' CD2' ' A' ' 5' ' ' HIS . 12.5 mp0 -119.79 140.31 50.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -160.37 163.63 33.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.331 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -101.27 149.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.82 165.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -99.8 152.26 20.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.358 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.38 -33.22 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.63 -54.21 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.95 35.83 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.371 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -26.18 65.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.426 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.79 42.18 1.87 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 19' ' ' ILE . 16.8 tp -149.28 -73.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.633 0.254 . . . . 0.0 110.495 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.55 -86.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.522 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.451 HD11 HG22 ' A' ' 19' ' ' ILE . 26.9 mm -122.88 -42.06 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.9 0.381 . . . . 0.0 110.129 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.98 54.52 1.28 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.29 -50.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -137.2 59.75 1.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.67 98.69 0.2 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -117.97 34.77 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.503 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -53.89 -41.2 67.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.84 -36.43 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.133 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -72.81 -37.53 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.255 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -56.78 -48.85 76.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.235 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.41 -27.73 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.185 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.32 -43.83 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.404 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -52.41 -30.95 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.5 t -54.91 129.57 65.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.89 66.06 8.21 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.428 2.086 . . . . 0.0 112.045 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.62 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.7 t -58.67 100.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -36.37 72.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.33 149.74 30.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.16 136.23 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.057 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.2 151.65 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 55.1 tp -120.54 149.73 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.023 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.84 122.44 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.635 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -106.99 44.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.202 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.09 -62.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.261 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.96 23.11 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.2 t 46.73 36.46 3.81 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.381 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.15 163.86 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.235 -179.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.74 129.3 24.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.08 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -119.63 127.83 53.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.187 0.518 . . . . 0.0 111.064 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.448 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 14.7 mm -120.59 126.66 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.954 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 5' ' ' HIS . 74.3 m-85 -116.88 101.27 8.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.145 0.498 . . . . 0.0 110.629 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.5 169.21 12.79 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -98.38 -20.85 16.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.588 0.233 . . . . 0.0 110.857 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -125.71 128.4 47.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 110.302 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.48 -41.72 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.361 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.67 -35.35 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.44 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.06 -37.12 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.456 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.5 t -64.25 -38.05 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.493 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -73.72 -46.68 44.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -33.38 69.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.81 -27.9 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -31.72 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.253 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -77.43 -42.9 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -56.01 -51.13 68.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.0 mt -51.67 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.456 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' OXT' ' CG ' ' A' ' 65' ' ' GLU . 14.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 120.863 0.363 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.415 ' HB2' HG23 ' A' ' 36' ' ' THR . 1.8 p -98.23 168.69 10.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.178 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -130.79 -39.78 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER -119.91 136.87 54.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.454 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 36.1 p-80 -145.75 169.83 17.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.719 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -150.78 130.59 13.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.413 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 111.036 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -146.97 124.39 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.236 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 pt -65.57 144.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.216 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -120.67 139.45 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.86 150.89 46.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.16 -50.41 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.403 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.92 -50.5 70.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.07 60.35 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -105.37 -69.19 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.23 43.49 0.07 OUTLIER Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -53.49 -65.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.381 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.21 68.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.351 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.1 mm -57.35 -33.19 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.314 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.92 50.99 0.22 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.4 p -121.8 32.7 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 65.24 81.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.638 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.07 128.68 2.93 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . -145.74 84.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.614 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' OD1' HG13 ' A' ' 26' ' ' ILE . 4.8 p30 -84.55 -46.13 11.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.4 HG13 ' OD1' ' A' ' 25' ' ' ASN . 2.4 mp -56.14 -67.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 0.0 111.265 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -40.74 -42.5 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.774 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 13.4 mm-40 -53.56 -54.45 37.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.47 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -31.98 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.296 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -25.32 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -76.39 -26.29 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.589 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.39 136.28 76.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -77.55 107.51 2.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.501 2.134 . . . . 0.0 112.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.89 -39.6 1.13 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.1 t -58.95 89.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.292 . . . . 0.0 110.35 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 2' ' ' SER . 6.3 t -53.77 -26.45 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.81 0.338 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 178.11 166.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.363 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.1 tt -134.7 151.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.411 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -144.53 151.73 39.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.443 HD13 ' CE2' ' A' ' 47' ' ' PHE . 1.3 tt -119.97 144.69 47.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' N ' HD22 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.06 111.87 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -100.74 -33.69 10.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.096 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -55.38 -40.5 71.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -121.02 20.78 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 42.97 86.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.622 0.248 . . . . 0.0 110.792 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m -159.21 155.23 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.736 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.443 ' CE2' HD13 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -118.44 125.3 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.048 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -118.59 127.5 53.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.103 0.478 . . . . 0.0 111.139 -178.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 5.0 mm -120.52 136.25 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.993 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -119.42 120.77 37.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 110.025 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -141.86 146.67 17.9 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -77.23 -35.7 55.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.61 126.57 38.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.191 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.63 -30.87 67.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.337 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.91 -27.02 57.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.98 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.396 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.69 -33.47 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.571 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -70.41 -53.67 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.42 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -60.25 -32.81 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.41 -41.5 69.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -64.34 -36.15 83.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 -24.95 63.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -83.8 -26.83 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.599 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.9 -33.51 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.374 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.842 0.354 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.82 101.15 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.238 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 26.32 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.617 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.47 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 2.0 m-85 -146.21 78.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.977 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 29.9 p-80 -119.31 169.58 9.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -150.38 136.38 18.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.253 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 139.37 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -158.99 151.28 21.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.8 pt -75.99 157.75 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.145 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 47' ' ' PHE . 95.3 t -133.23 141.34 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.41 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.33 146.04 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.285 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.25 -26.03 6.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -67.33 -42.99 82.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.422 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 mp -110.08 35.12 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.19 -66.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.407 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.11 29.04 2.57 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tp -134.02 136.15 43.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.381 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.83 99.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.5 mm -82.68 85.04 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.371 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.41 -120.96 1.7 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 p -104.23 -72.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.321 . . . . 0.0 110.311 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -163.83 145.3 9.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.29 -148.97 16.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -171.46 173.31 4.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -81.41 -37.87 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.29 -46.49 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.35 -24.93 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.686 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mm100 -77.56 -44.58 28.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.23 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.64 -29.84 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.214 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -80.11 -29.36 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.362 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -28.82 67.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.9 t -57.42 134.37 81.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.366 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.9 99.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.438 2.092 . . . . 0.0 111.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.96 -47.86 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.7 t -56.5 109.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.645 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' TYR . 21.9 p -59.53 -51.62 69.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.328 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.17 156.39 19.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.5 tt -119.77 141.15 41.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.605 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -141.84 150.37 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.347 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.85 153.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.156 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -119.84 113.13 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.363 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -100.08 30.08 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.758 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.71 -40.5 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.405 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -129.01 22.03 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 47.72 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.463 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m -160.84 160.44 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.467 ' CD1' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -120.7 128.92 53.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.231 179.22 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.59 126.14 50.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.495 0.665 . . . . 0.0 111.285 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 24.2 mm -119.4 130.26 74.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' THR . 93.2 m-85 -116.08 95.76 5.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.105 0.478 . . . . 0.0 110.567 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -111.73 177.1 18.68 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -114.28 -33.49 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.19 148.44 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.169 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.47 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 2.1 mp0 -62.94 -54.65 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.269 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.19 70.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.4 80.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.659 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.8 t -74.51 -46.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.589 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -62.05 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -49.41 -47.02 48.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -60.43 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.497 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -60.35 -28.13 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -42.11 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.566 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -75.38 -38.04 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' CD2' ' CE2' ' A' ' 47' ' ' PHE . 6.7 mp -94.49 47.81 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.382 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -110.42 -75.08 0.63 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.41 -45.62 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 109.981 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -122.72 104.8 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 49.4 p-80 -130.94 149.52 52.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -122.47 146.8 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.634 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -126.46 140.98 52.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.996 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -157.54 158.56 35.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 pt -103.67 140.75 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG23 ' CD2' ' A' ' 47' ' ' PHE . 35.6 m -137.62 135.28 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.386 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -70.23 170.1 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.03 -27.62 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.9 -43.01 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.371 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.18 -15.7 61.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -75.56 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.796 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.31 70.13 0.06 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.88 -51.15 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.34 24.69 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.63 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.4 mm 45.36 63.4 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.25 100.11 0.2 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 p -65.91 123.89 21.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.832 0.349 . . . . 0.0 110.373 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -160.96 35.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.37 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.01 -179.0 19.38 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.76 130.76 20.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -81.98 -41.94 20.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.455 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 27' ' ' GLN . 13.4 pt -54.69 -33.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.304 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.409 ' N ' HG13 ' A' ' 26' ' ' ILE . 42.0 mt-30 -73.42 -47.36 42.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -56.69 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.89 -36.5 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -33.28 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -67.33 -36.76 82.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -57.67 139.06 81.98 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.257 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -77.12 103.71 1.79 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.409 2.073 . . . . 0.0 111.994 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.97 -55.26 0.36 Allowed Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 59.9 t -55.31 102.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.382 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -78.72 -25.5 44.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.04 161.21 6.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.106 0.479 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 tt -128.79 138.23 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.546 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.25 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 111.289 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 24.9 tp -120.77 158.99 26.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.706 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD1' ' CD2' ' A' ' 48' ' ' HIS . 1.0 OUTLIER -119.3 128.77 54.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.519 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -93.77 -61.43 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.936 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.18 -62.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.3 m -107.33 96.12 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.275 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.5 t -42.19 102.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.332 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -153.97 162.06 41.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CD2' HG23 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -121.44 127.24 50.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.212 179.577 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 37.7 m-70 -119.74 132.9 55.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.7 mm -119.51 132.33 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.94 102.85 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 0.0 111.434 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.22 168.17 14.78 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -105.31 -21.65 13.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.7 0.286 . . . . 0.0 110.398 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -107.22 125.22 50.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.191 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -53.6 -28.58 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.416 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.54 -29.56 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -32.48 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.586 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 t -67.73 -46.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -64.25 -58.41 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -51.13 -46.97 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.62 80.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.473 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.79 -39.91 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -54.17 50.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.26 -59.12 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.4 mt -49.4 -39.93 34.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.369 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.842 0.353 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.32 142.69 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.216 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -76.89 -40.45 47.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.78 153.94 45.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.527 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 8.7 p-80 -156.98 175.95 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.238 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -147.06 134.21 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 -179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.96 115.47 19.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.464 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.459 ' CE2' ' HG3' ' A' ' 61' ' ' ARG . 30.0 p90 -134.5 138.96 45.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.638 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 pt -74.05 135.53 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.8 142.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.815 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -170.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.52 -41.2 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.244 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -64.93 -45.26 86.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.31 31.37 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 ttm -67.22 -61.67 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.341 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.29 55.99 0.65 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.1 135.17 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.09 -170.37 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.1 mm -116.6 98.36 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.391 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.28 163.39 27.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -112.25 -24.61 9.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.312 . . . . 0.0 110.631 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -132.49 42.81 3.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.381 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.11 -174.89 15.03 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.68 164.14 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 0.0 110.161 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -84.32 -44.4 13.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 27' ' ' GLN . 21.5 pt -60.63 -36.3 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.982 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.425 ' N ' HG13 ' A' ' 26' ' ' ILE . 25.8 tt0 -65.87 -39.59 90.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.695 0.283 . . . . 0.0 110.74 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -59.41 -39.1 82.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.432 ' CB ' HD12 ' A' ' 64' ' ' LEU . . . -69.35 -27.08 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.17 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -84.2 -26.88 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -71.41 -30.93 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.6 t -63.29 136.62 96.78 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.39 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.53 95.94 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.551 2.167 . . . . 0.0 112.048 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.91 -51.97 0.23 Allowed Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.1 t -54.32 153.82 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.418 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.3 p -115.14 -36.29 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.262 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -167.76 174.14 7.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.5 tt -151.21 150.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.68 170.14 17.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 tt -130.43 143.15 50.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.4 ' CB ' ' HB ' ' A' ' 46' ' ' THR . 0.3 OUTLIER -119.87 114.08 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.352 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -100.95 -21.82 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.608 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -50.05 -43.38 50.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.827 0.346 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.1 t -135.93 29.2 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.369 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 50.08 81.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.812 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.4 ' HB ' ' CB ' ' A' ' 41' ' ' ASP . 3.1 m -144.2 156.57 44.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.44 133.97 55.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -119.52 129.23 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.851 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.412 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 18.2 mm -119.77 132.52 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.807 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -117.88 96.26 5.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.95 0.405 . . . . 0.0 110.619 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -127.78 138.5 10.48 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -20.1 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -117.41 120.11 37.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -56.29 -28.17 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.209 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.66 -45.51 86.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.14 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.419 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.7 t -61.58 -37.72 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.507 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -64.84 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -50.95 -37.97 47.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.27 -53.07 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 1.9 tmm_? -54.44 -43.21 71.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -41.72 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.803 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.13 -33.47 74.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.432 HD12 ' CB ' ' A' ' 29' ' ' ALA . 5.9 mp -95.42 -77.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.596 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' ARG . 19.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -74.46 142.68 44.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.34 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -37.62 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -120.0 129.24 54.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.09 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 45.5 p-80 -141.54 151.49 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -128.16 130.82 48.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.929 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -119.46 125.13 48.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -141.62 133.29 27.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.263 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 pt -69.86 137.6 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.76 130.13 68.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.319 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HD3' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.44 163.48 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -33.63 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -66.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' CD1' ' HD3' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -71.34 -20.78 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.7 tpp -47.92 -46.87 32.37 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.326 . . . . 0.0 110.715 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.22 -92.68 2.18 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp 56.86 103.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.06 101.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.2 mp -80.04 -24.2 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.302 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.78 171.32 27.34 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 p -104.78 -175.99 2.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 51.41 34.38 11.87 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.34 95.23 0.31 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLN . . . -107.2 74.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -31.3 -54.25 0.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.61 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.441 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 22.6 mm -53.8 -42.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.065 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' ALA . 9.4 tt0 -63.22 -50.98 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.609 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -46.88 -48.06 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.023 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.25 -34.2 71.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.268 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -74.1 -38.36 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.266 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -57.52 -26.69 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.9 t -54.46 138.49 59.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.265 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -81.18 57.74 6.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.144 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -176.08 40.13 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -141.71 81.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -49.55 -45.56 47.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.563 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.41 165.9 34.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.077 0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.1 tt -141.72 145.78 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.912 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.01 150.96 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.093 0.473 . . . . 0.0 111.085 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' CD2' ' N ' ' A' ' 41' ' ' ASP . 2.6 tt -121.66 156.37 33.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.862 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.414 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -119.59 112.81 19.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.01 0.433 . . . . 0.0 110.506 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -98.81 25.37 6.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.34 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.185 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -106.91 23.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.83 78.28 0.07 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.735 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.61 150.44 48.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.467 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.409 ' CZ ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -119.27 122.03 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -118.31 128.73 54.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.173 0.511 . . . . 0.0 110.725 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.407 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 9.7 mm -119.56 130.17 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -117.24 120.26 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.151 0.501 . . . . 0.0 110.393 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.75 -153.77 6.75 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -128.4 -41.24 1.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.626 0.251 . . . . 0.0 110.672 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -102.37 127.87 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -57.13 -26.02 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.45 -41.43 63.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.432 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -63.62 -54.71 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.739 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -49.09 -40.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.575 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -57.66 -41.92 82.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.77 -42.7 90.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.48 76.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.416 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.71 -32.21 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 t -64.25 -42.71 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -72.55 -21.12 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' A' ' 26' ' ' ILE . 88.4 mt -94.97 32.75 1.61 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.802 0.334 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.42 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.817 0.341 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -148.99 121.73 8.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.216 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.76 -39.83 9.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -119.82 147.34 44.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.283 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.2 p-80 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.389 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -120.01 158.36 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.143 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -141.69 136.91 31.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.029 0.443 . . . . 0.0 110.971 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.421 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 5.6 p90 -160.32 131.41 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.175 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 pt -66.19 138.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.43 HG22 ' CD2' ' A' ' 47' ' ' PHE . 96.1 t -123.05 151.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.411 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -84.04 147.46 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.266 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.4 -35.32 63.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.16 31.09 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -54.0 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.374 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 153.8 95.14 0.11 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.9 mt -138.11 64.04 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.336 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.47 110.21 6.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.7 mm -91.76 53.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.244 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.06 175.99 18.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.45 -171.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.688 0.28 . . . . 0.0 110.517 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -81.52 136.8 35.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.357 0.598 . . . . 0.0 111.236 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.97 65.17 0.1 Allowed Glycine 0 CA--C 1.519 0.342 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -95.38 44.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 0.0 110.951 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -46.74 -54.3 10.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.066 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.4 mt -70.3 -36.23 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.542 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.67 -44.47 73.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.614 0.245 . . . . 0.0 110.635 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.218 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.82 -42.29 84.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -71.02 -38.59 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.23 -34.75 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.246 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.43 ' CG1' ' HD2' ' A' ' 33' ' ' PRO . 46.5 t -56.18 139.85 71.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.235 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.43 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 48.0 Cg_endo -75.94 118.24 4.96 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.456 2.104 . . . . 0.0 112.086 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.07 -36.42 2.21 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 24.3 t -57.19 89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.383 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.7 p -58.89 -40.3 84.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.333 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.73 -177.13 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -144.45 141.29 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.86 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.22 172.61 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.074 0.464 . . . . 0.0 110.987 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.33 149.82 30.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.739 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.24 109.15 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.435 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -83.28 -31.74 26.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.659 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.48 -59.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 m -70.76 -26.93 63.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 t 71.9 71.94 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.0 m -151.25 171.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.659 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.43 ' CD2' HG22 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -117.82 130.0 56.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.429 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -119.77 128.83 54.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 111.288 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 21.4 mm -118.77 133.49 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -115.08 105.56 13.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 110.266 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.2 122.17 3.97 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.01 -29.36 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.262 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 139.53 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.421 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -68.05 -40.58 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.262 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.68 -31.29 71.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.61 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' CG1' ' N ' ' A' ' 58' ' ' LYS . 9.5 p -50.46 -46.06 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.493 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 1.3 mmmt -59.33 -46.36 88.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.479 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.03 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.401 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.27 -39.21 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.439 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -57.1 -49.04 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -37.26 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -59.48 -34.46 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.356 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.2 mt -90.73 -26.07 19.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.525 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -90.18 104.43 17.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.21 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.75 23.34 8.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.679 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.473 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 20.3 m-85 -141.93 72.59 1.38 Allowed 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 41.5 p-80 -119.42 157.06 28.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.844 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.12 146.87 47.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.166 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -121.51 152.84 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.489 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -179.45 150.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.178 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 pt -87.31 151.04 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 0.0 110.775 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.7 m -123.69 118.02 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.09 143.53 17.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -60.88 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.266 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -53.12 -29.2 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.374 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.45 36.8 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.426 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -93.19 -27.68 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.43 -57.94 0.04 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tp 66.88 69.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.236 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.66 83.94 3.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.537 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.9 mm -73.81 -29.58 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.267 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.13 -50.21 0.89 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 p -70.0 -38.28 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 110.512 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -67.06 138.09 56.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.223 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.17 -95.57 0.25 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.39 141.33 29.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -81.86 -50.94 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.9 mt -56.12 -64.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.81 -178.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -47.06 -37.71 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.419 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -68.26 -44.04 76.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.5 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -70.44 -38.7 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.285 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -54.14 -40.67 67.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.42 ' CG1' ' HD2' ' A' ' 33' ' ' PRO . 45.2 t -51.95 139.18 33.32 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.42 ' HD2' ' CG1' ' A' ' 32' ' ' VAL . 47.3 Cg_endo -73.92 134.17 19.39 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.489 2.126 . . . . 0.0 111.966 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.77 1.08 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -57.73 130.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.53 -26.95 15.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.21 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.76 175.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.984 0.421 . . . . 0.0 111.059 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -119.52 135.05 61.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.616 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.15 136.84 50.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.472 . . . . 0.0 111.125 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 6.8 tp -127.83 150.68 49.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.38 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.431 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 119.57 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 111.089 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.38 -76.36 0.06 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' CYS . 2.2 m-20 -47.87 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.386 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -63.1 81.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.061 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' ASP . 49.0 t -48.82 90.08 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.715 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.441 ' N ' ' O ' ' A' ' 44' ' ' THR . 6.3 t -157.92 174.39 15.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.109 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.3 134.97 54.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -119.87 138.69 53.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.085 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 22.2 mm -119.28 137.33 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -116.4 93.62 4.3 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.417 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.91 162.32 17.98 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -102.88 -24.06 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.628 0.252 . . . . 0.0 110.593 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.48 170.11 9.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.867 0.365 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.473 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -83.84 -57.3 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.424 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 -29.0 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.1 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.27 -44.76 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.36 -45.16 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -52.25 56.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.28 -40.06 64.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.529 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 4.3 ttp180 -65.13 -32.48 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 t -70.25 -37.27 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.35 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.77 -29.62 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.437 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mt -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.3 mm-40 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.358 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.825 0.345 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 4' ' ' PHE . 5.6 m 55.55 36.08 26.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.609 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.36 -66.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -119.87 137.34 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -157.66 160.25 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.2 127.46 19.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.151 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.41 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 15.9 pt20 -120.14 131.25 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.93 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -147.37 162.18 39.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.305 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.8 pt -90.43 151.68 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 74.6 t -123.49 142.53 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.01 135.71 51.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -46.81 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.35 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -57.46 -52.7 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.36 49.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -94.44 -67.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 151.96 68.31 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.96 151.24 49.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.373 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.8 62.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.309 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.1 mm -76.37 72.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.364 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.12 29.41 3.35 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.47 -68.12 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.41 0.148 . . . . 0.0 110.942 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 10.3 p80 -176.73 64.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.478 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.21 134.28 12.26 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . -163.36 27.99 0.09 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 117.061 0.43 . . . . 0.0 111.678 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -86.28 -52.47 5.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 111.625 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -45.9 -61.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -50.73 -44.12 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.723 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 79.0 mm-40 -48.32 -50.43 30.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.642 0.258 . . . . 0.0 110.962 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.29 -39.46 79.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.8 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -68.58 -30.11 68.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -28.03 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.654 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.28 128.54 78.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.06 62.84 7.58 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.53 2.153 . . . . 0.0 112.065 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.428 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -178.35 38.17 0.08 OUTLIER Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.3 t -130.6 93.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.306 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.31 -26.32 60.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.454 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 176.98 161.79 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.875 0.369 . . . . 0.0 110.751 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.2 tt -132.59 126.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.04 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -129.81 153.6 48.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.116 0.484 . . . . 0.0 111.032 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 20.9 tp -123.76 159.15 30.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.586 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.35 129.13 55.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.914 0.387 . . . . 0.0 110.073 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -91.36 -62.6 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -31.5 4.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.887 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' THR . 99.2 m -131.33 106.38 8.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 37.0 t -49.23 92.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.417 ' N ' ' O ' ' A' ' 44' ' ' THR . 27.8 m -152.92 158.89 42.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.313 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.41 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -119.14 130.13 55.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.392 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -119.16 130.19 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.129 0.49 . . . . 0.0 110.671 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.2 mm -118.92 135.01 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.64 108.01 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.39 133.38 5.58 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -58.87 -31.5 68.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.674 0.273 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.83 154.8 22.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.587 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.443 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 23.1 pt20 -82.68 -38.04 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.983 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 2.8 t0 -56.08 -41.16 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.428 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -69.16 -43.75 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.372 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.2 -33.39 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.48 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -37.07 74.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -79.37 -28.44 41.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.144 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.04 32.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.275 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.9 OUTLIER -63.43 -25.51 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.35 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.437 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -69.48 -30.49 68.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 0.0 109.976 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.59 -49.52 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.161 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.35 -65.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.43 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.44 ' HB3' HG21 ' A' ' 36' ' ' THR . 2.4 p . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.6 0.238 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.0 -0.68 38.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.269 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -124.05 87.88 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 53.3 p-80 -120.54 168.32 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.919 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.55 141.73 25.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.53 141.74 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.245 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -160.25 134.42 7.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.73 143.28 13.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.251 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.88 122.56 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.25 152.51 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.16 -42.98 99.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' HB3' HD23 ' A' ' 14' ' ' LEU . 7.4 t0 -57.94 -43.82 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 13' ' ' ASP . 0.3 OUTLIER -112.54 46.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.366 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 tmm? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.449 -179.828 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.8 0.333 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -63.92 -29.54 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.384 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.509 ' HA ' HD21 ' A' ' 64' ' ' LEU . 3.0 mp -73.28 -53.01 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.499 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -62.78 -50.81 69.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -50.21 -51.73 41.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -56.23 -30.48 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -33.67 41.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.75 68.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.524 HG13 ' HD2' ' A' ' 33' ' ' PRO . 57.7 t -51.76 140.08 29.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD2' HG13 ' A' ' 32' ' ' VAL . 47.2 Cg_endo -74.74 107.74 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.514 2.143 . . . . 0.0 112.266 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.84 -46.03 0.82 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.89 122.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.44 HG21 ' HB3' ' A' ' 2' ' ' SER . 15.3 t -95.46 -21.29 18.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.54 162.25 2.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 tt -136.27 141.32 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.95 144.03 48.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.461 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 41' ' ' ASP . 6.2 tt -122.07 138.11 54.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.792 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -120.39 125.11 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -103.56 -43.73 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.12 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.44 60.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.948 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -87.66 -18.21 30.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 t 70.57 49.65 0.4 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m -138.32 159.92 40.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.781 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.44 132.9 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.696 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.488 ' C ' HD13 ' A' ' 49' ' ' ILE . 92.9 m-70 -120.02 134.26 55.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.232 0.539 . . . . 0.0 110.655 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.488 HD13 ' C ' ' A' ' 48' ' ' HIS . 6.0 mm -119.79 133.11 67.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.124 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.96 117.98 30.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.185 0.517 . . . . 0.0 110.152 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.01 -171.08 13.26 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.086 -1.205 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -132.44 31.68 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.689 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -164.76 120.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.478 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.1 -42.54 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.264 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.15 -62.06 2.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.456 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.57 -43.98 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 53' ' ' ASP . 67.9 t -64.15 -43.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.519 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -64.44 -27.86 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -77.15 -49.99 13.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.16 -30.68 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -38.66 56.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -67.7 -28.26 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -83.49 -44.62 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 26' ' ' ILE . 13.3 mt -56.94 -38.68 73.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.493 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -82.37 -42.79 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.227 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.87 160.78 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 19.3 p-80 -156.41 171.72 19.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.086 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.11 135.63 25.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.43 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 1.7 pp0? -126.85 124.15 38.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -150.49 148.53 28.83 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.283 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -77.51 149.89 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.63 149.83 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -74.56 150.09 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.32 -42.13 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.443 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.475 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 14' ' ' LEU . 8.0 mt -105.27 40.88 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HA ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 111.474 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -86.04 0.07 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.635 ' HA ' HD21 ' A' ' 64' ' ' LEU . 27.9 mt -74.98 -47.45 36.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.36 -29.1 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.04 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 91.1 mm-40 -75.91 -58.4 3.3 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -49.66 -28.76 6.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.276 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -32.56 51.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.537 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -27.4 67.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -51.06 128.03 28.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.369 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.82 96.25 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.411 2.074 . . . . 0.0 112.044 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . 159.28 -33.44 0.46 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 29' ' ' ALA . 58.4 t -56.02 130.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.033 0.444 . . . . 0.0 110.401 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 m -93.8 -37.62 11.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.06 166.67 4.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.227 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.1 tt -135.2 145.13 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.088 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.44 151.53 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 110.802 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 39.6 tp -119.93 159.88 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.491 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.64 111.8 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.1 0.476 . . . . 0.0 110.862 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.41 43.62 1.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.897 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.74 -50.84 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.441 HG23 ' OG1' ' A' ' 46' ' ' THR . 13.8 t -132.27 27.88 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 0.0 110.378 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.45 80.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.744 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.455 HG22 ' CD2' ' A' ' 48' ' ' HIS . 16.1 m -134.74 150.88 50.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.986 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.69 121.52 40.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.455 ' CD2' HG22 ' A' ' 46' ' ' THR . 6.8 m170 -118.04 131.24 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 20.8 mm -118.97 138.86 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.72 116.28 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.535 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.92 131.18 3.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.26 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.267 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.6 m-20 -83.71 122.65 28.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.252 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -26.41 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.04 -51.13 63.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -61.96 -39.05 90.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 53' ' ' ASP . 57.5 t -59.85 -43.9 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -57.12 -55.12 38.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.44 -29.73 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.93 76.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.526 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -37.09 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 t -61.09 -33.48 73.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -75.63 -44.06 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 26' ' ' ILE . 88.5 mt -72.89 -17.97 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.804 0.335 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -114.52 -22.21 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -120.33 124.21 45.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 110.434 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 15.2 p-80 -142.88 178.78 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.484 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -160.31 143.31 13.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.33 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -121.25 137.0 54.88 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.465 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 44.5 p90 -157.99 131.73 7.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.9 pt -67.78 179.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.471 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 m -152.44 149.23 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.274 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -72.28 143.03 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -67.64 -42.09 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.33 -27.11 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.06 28.18 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.661 ' HB1' ' HG3' ' A' ' 28' ' ' GLN . . . . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -84.87 -68.19 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.508 ' HA ' HD21 ' A' ' 64' ' ' LEU . 4.1 mt -65.7 -32.53 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.188 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.64 -55.48 9.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 111.111 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.663 ' O ' HG23 ' A' ' 32' ' ' VAL . 29.9 mt-30 -52.19 -46.92 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . . . -56.77 -40.13 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.337 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -71.64 -43.16 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -25.75 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.629 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 28' ' ' GLN . 24.2 t -59.75 133.36 89.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.328 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -81.28 117.09 3.1 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 111.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.77 -39.5 1.56 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.76 134.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -90.48 -48.6 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.04 167.0 16.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 tt -132.74 149.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -160.07 166.21 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tp -131.81 149.11 52.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.961 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.65 143.97 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.81 -37.13 8.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.461 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -60.37 3.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.01 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -25.75 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.64 77.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.683 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -157.16 -168.29 2.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.706 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.82 131.22 56.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.51 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' O ' HD13 ' A' ' 49' ' ' ILE . 21.9 m80 -118.03 124.21 47.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.518 0.675 . . . . 0.0 111.469 -178.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.432 HD13 ' O ' ' A' ' 48' ' ' HIS . 14.0 mm -119.79 129.97 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.141 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' O ' ' CB ' ' A' ' 36' ' ' THR . 6.9 m-85 -118.81 93.12 3.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.885 0.374 . . . . 0.0 110.308 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.9 159.23 14.81 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -98.57 30.51 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.993 0.425 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.34 126.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.092 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.487 ' HA ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -55.31 -24.77 30.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.2 51.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.716 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.46 -42.02 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.705 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 58' ' ' LYS . 9.8 p -65.33 -46.38 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.598 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.493 ' N ' HG13 ' A' ' 57' ' ' VAL . 17.9 mmtm -59.91 -46.02 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.633 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -55.64 -39.96 71.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -32.65 73.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.603 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 1.1 tmm_? -67.42 -47.15 71.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.524 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 t -54.72 -35.37 63.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.448 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -83.33 -30.23 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.419 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.508 HD21 ' HA ' ' A' ' 26' ' ' ILE . 41.1 mt -89.55 51.22 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.416 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 CA--C 1.523 -0.084 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.31 -40.88 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.18 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 123.46 41.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.72 0.295 . . . . 0.0 110.314 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 22.8 p-80 -141.9 171.1 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.066 0.46 . . . . 0.0 111.154 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -150.06 140.39 22.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.798 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -120.22 141.89 49.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 111.03 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -165.81 145.38 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 45' ' ' CYS . 34.6 pt -84.62 145.73 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -132.92 136.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.226 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.26 -179.58 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -50.63 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.259 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.61 -38.96 84.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.225 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 14' ' ' LEU . 4.5 mm? -67.15 -31.1 71.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.184 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.28 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.869 0.366 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -85.39 -57.1 3.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.047 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 38' ' ' ILE . 27.0 mt -71.67 -43.23 70.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.856 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.0 -33.76 69.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.432 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 48.5 mm-40 -70.62 -49.53 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.537 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -52.14 -42.32 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.442 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -32.08 72.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.416 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -52.29 131.08 42.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.15 110.23 2.98 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.339 2.026 . . . . 0.0 111.969 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.06 -38.23 1.12 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.29 124.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.653 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.8 p -87.82 -37.76 16.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.176 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -174.57 148.07 1.14 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.506 HG13 HD13 ' A' ' 49' ' ' ILE . 12.0 tt -129.58 153.07 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.279 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -160.95 169.42 22.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.927 0.394 . . . . 0.0 111.077 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' A' ' 47' ' ' PHE . 19.3 tp -119.16 155.31 31.85 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 1.3 m-20 -118.61 139.57 51.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 110.558 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.08 -53.4 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.21 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.74 -35.4 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 m -97.95 -23.02 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.67 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER 56.71 63.95 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.728 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' N ' ' A' ' 47' ' ' PHE . 41.4 m -147.42 167.46 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -116.24 123.55 48.01 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' HD13 ' A' ' 49' ' ' ILE . 16.0 m-70 -117.51 132.52 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.321 0.581 . . . . 0.0 110.654 -178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.0 mm -120.34 131.86 71.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' THR . 28.1 m-85 -115.31 119.11 35.22 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.41 -174.77 15.94 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.48 29.83 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.55 114.01 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.122 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' HA ' ' HG2' ' A' ' 58' ' ' LYS . 9.3 m-20 -80.21 -29.44 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.469 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.37 -31.77 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -79.17 -46.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -57.06 -33.96 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -38.92 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.245 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.26 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.398 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -45.91 83.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.53 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -54.71 -39.3 68.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.52 -42.38 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.449 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.15 -42.5 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.406 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.934 0.397 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -86.08 -21.79 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.124 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.1 145.63 45.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -138.21 166.38 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.612 0.72 . . . . 0.0 112.106 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -144.05 106.34 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.543 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 6.2 pt20 -118.54 125.76 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 111.648 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -147.39 162.03 39.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.38 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pt -93.37 136.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.072 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.3 139.08 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -65.99 139.29 58.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -51.32 -35.66 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.99 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.12 36.72 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.2 ttm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 CA--C 1.524 -0.047 0 CA-C-O 120.7 0.286 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -84.59 -35.58 22.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.663 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mt -47.87 -63.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -61.74 -45.16 95.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 16.9 mm100 -53.22 -39.21 63.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.05 -28.08 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.107 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -35.55 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.9 -29.98 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 32' ' ' VAL . 27.8 t -50.75 136.48 26.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.495 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -79.33 129.64 8.71 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.504 2.136 . . . . 0.0 111.928 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.27 -27.96 6.2 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.88 144.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' TYR . 2.8 m -96.96 -42.95 7.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.849 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.93 174.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.35 135.82 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.259 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.65 147.48 41.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 23.4 tp -120.51 156.0 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.88 133.6 55.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.404 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -116.79 47.63 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.44 -48.89 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.483 HG23 ' OG1' ' A' ' 46' ' ' THR . 7.5 t -132.33 29.99 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.285 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 m 50.21 80.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' HG23 ' A' ' 44' ' ' THR . 4.1 m -136.51 150.69 48.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.15 0.5 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.94 120.9 38.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.459 ' O ' HD13 ' A' ' 49' ' ' ILE . 16.6 m-70 -118.46 144.21 46.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.122 0.487 . . . . 0.0 111.049 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.465 HD11 HD13 ' A' ' 64' ' ' LEU . 15.1 mm -119.13 143.14 31.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' THR . 5.3 m-30 -115.2 103.69 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' HG22 ' A' ' 57' ' ' VAL . . . -136.57 174.42 21.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.34 29.14 3.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.785 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -155.7 117.59 4.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.295 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -55.11 -28.35 51.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -71.09 -55.9 7.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.79 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 53' ' ' ASP . 57.7 t -50.32 -31.67 8.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.451 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -79.27 -40.89 29.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.147 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -43.85 95.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.154 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.18 78.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.176 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.11 -32.06 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -52.57 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.25 -36.66 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.309 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.465 HD13 HD11 ' A' ' 49' ' ' ILE . 19.2 mt -62.55 -76.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.398 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.121 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -93.92 -29.16 15.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -126.43 107.13 9.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 110.964 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 17.2 p-80 -131.95 167.63 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.889 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -144.38 146.83 32.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 110.781 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 7.7 pt20 -126.81 118.6 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.079 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -149.94 152.15 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.486 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.43 ' O ' HG13 ' A' ' 10' ' ' VAL . 11.6 pt -81.45 -174.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' HA ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -155.04 72.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.544 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 43.9 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.055 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -108.14 -28.9 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.215 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.28 -52.05 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.321 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.13 27.61 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.535 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.621 ' HA ' HG23 ' A' ' 10' ' ' VAL . 9.4 tpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.629 ' HB1' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.795 0.331 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -78.08 -24.47 47.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.629 HD12 ' HB1' ' A' ' 24' ' ' ALA . 1.5 mp -56.12 -46.74 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.542 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -65.6 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.625 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.55 -47.68 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.464 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.85 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.199 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -72.59 -36.37 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.158 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -34.28 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.308 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.13 122.71 24.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -76.64 100.59 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.327 2.018 . . . . 0.0 112.184 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.51 -46.73 0.23 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.414 ' HA ' ' CA ' ' A' ' 51' ' ' GLY . 11.7 m -55.44 172.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.11 -41.27 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.76 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.38 170.63 4.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.307 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 tt -138.14 144.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -160.14 163.66 33.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.861 0.362 . . . . 0.0 110.718 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 46' ' ' THR . 33.8 tp -119.91 149.23 42.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.742 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.624 ' HB3' HG22 ' A' ' 44' ' ' THR . 48.1 m-20 -122.17 144.97 48.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 110.926 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -103.38 -39.35 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.192 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.98 -57.21 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.226 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.653 HG23 HG22 ' A' ' 46' ' ' THR . 9.6 t -81.32 -20.25 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.455 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.3 m 56.26 84.89 0.08 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 HG23 ' A' ' 44' ' ' THR . 10.7 t -172.49 -169.95 0.65 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -117.87 135.58 54.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.405 ' CD2' HG23 ' A' ' 46' ' ' THR . 19.2 m-70 -118.25 128.26 54.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.587 0.708 . . . . 0.0 111.019 -178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 60' ' ' ALA . 13.2 mm -120.9 136.21 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.319 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -119.63 134.54 55.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.674 ' HA3' HG22 ' A' ' 57' ' ' VAL . . . -167.05 141.83 7.17 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -77.64 -19.19 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.591 0.234 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -116.28 114.73 24.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.752 0.31 . . . . 0.0 110.358 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -50.18 -50.36 49.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -52.59 -40.55 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.52 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.48 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 53' ' ' ASP . 21.6 t -65.81 -36.1 76.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.362 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -66.93 -38.65 86.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' A' ' 49' ' ' ILE . . . -56.28 -59.47 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -54.77 -25.59 28.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.37 -34.62 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -88.53 -29.05 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 26' ' ' ILE . 7.5 mt -88.22 54.07 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.348 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.383 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.438 ' HB3' HG21 ' A' ' 36' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.933 0.396 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -29.78 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.51 148.35 46.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 0.0 110.387 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 20.3 p-80 -154.99 179.24 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.309 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -148.44 139.76 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -136.64 113.1 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.392 179.409 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.498 ' CE1' ' HG3' ' A' ' 61' ' ' ARG . 21.9 p90 -136.29 135.03 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.4 pt -59.3 141.5 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.274 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.525 HG21 ' CD1' ' A' ' 47' ' ' PHE . 91.3 t -126.47 137.65 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.78 140.06 51.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -56.56 -35.78 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.45 -31.26 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -107.74 36.59 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.372 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.352 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.377 0.132 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -85.54 -66.17 0.93 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.524 HG22 HD21 ' A' ' 64' ' ' LEU . 26.1 pt -53.84 -42.66 53.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 26' ' ' ILE . 2.0 mm-40 -52.56 -46.27 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.668 0.27 . . . . 0.0 111.008 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.7 mt-30 -58.32 -48.05 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.43 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.747 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -56.6 -30.36 63.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.337 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -78.01 -39.03 43.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -61.95 -28.74 69.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.658 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 28' ' ' GLN . 99.1 t -61.13 128.3 89.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.74 76.27 4.38 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.398 2.066 . . . . 0.0 112.144 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' HA3' ' HB1' ' A' ' 56' ' ' ALA . . . -171.86 -46.35 0.04 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 29' ' ' ALA . 12.5 t -58.56 83.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.843 HG22 ' O ' ' A' ' 50' ' ' TYR . 9.8 t -51.13 -25.43 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 178.06 144.56 0.11 Allowed 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.31 141.15 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.71 161.14 39.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 47' ' ' PHE . 18.4 tp -121.48 153.14 38.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 2.1 m-20 -119.37 161.7 20.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.696 0.284 . . . . 0.0 110.386 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -130.51 -49.39 1.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.567 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.58 -33.29 60.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.572 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 t -109.96 -21.38 12.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 81.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 47' ' ' PHE . 32.7 m -157.52 168.44 27.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.97 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -116.21 127.7 54.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.414 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.448 ' C ' HD13 ' A' ' 49' ' ' ILE . 95.0 m-70 -117.67 129.77 55.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.53 0.681 . . . . 0.0 110.99 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.448 HD13 ' C ' ' A' ' 48' ' ' HIS . 4.6 mm -119.47 133.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.611 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.843 ' O ' HG22 ' A' ' 36' ' ' THR . 15.2 m-85 -117.9 112.18 19.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.0 110.376 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -140.46 176.12 21.6 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -107.08 -24.82 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -113.95 131.19 56.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.375 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -55.74 -36.61 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.26 -31.81 73.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB1' ' HA3' ' A' ' 34' ' ' GLY . . . -74.35 -44.87 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 6' ' ' GLU . 38.9 t -64.85 -32.51 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -52.51 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.2 -33.3 52.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.258 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.26 -57.41 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 8' ' ' PHE . 4.0 ttp180 -55.48 -28.27 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.244 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -46.72 86.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.127 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.432 ' HB2' HD12 ' A' ' 64' ' ' LEU . 2.9 m-85 -76.13 -24.15 54.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.416 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.747 ' CD1' ' HB2' ' A' ' 29' ' ' ALA . 6.2 mp -107.06 61.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.365 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.879 0.371 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -81.85 -16.15 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.569 ' HB3' HG21 ' A' ' 57' ' ' VAL . 3.4 m-85 -121.03 132.09 54.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.854 0.359 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 53.7 p-80 -152.19 155.92 38.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.447 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -129.53 150.32 50.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.686 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.86 149.44 51.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.058 0.456 . . . . 0.0 111.317 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -175.74 132.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.907 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 45' ' ' CYS . 39.7 pt -59.21 170.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.564 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' A' ' 47' ' ' PHE . 3.0 m -148.28 105.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.377 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -54.61 151.36 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.166 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -30.97 71.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.53 31.21 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.192 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.84 -39.63 81.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.272 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.471 ' HA ' HD21 ' A' ' 64' ' ' LEU . 2.5 mt -55.65 -30.92 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.165 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -82.88 -45.18 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -58.91 -50.84 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.08 95.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.44 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -64.08 -34.85 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.368 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -67.74 -25.99 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.315 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG13 ' HD2' ' A' ' 33' ' ' PRO . 57.9 t -55.38 139.68 66.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HD2' HG13 ' A' ' 32' ' ' VAL . 49.4 Cg_endo -78.91 87.62 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.543 2.162 . . . . 0.0 112.138 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.08 -51.82 0.15 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.93 115.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' TYR . 16.7 p -78.57 -33.87 47.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.014 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.72 145.29 12.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.611 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.509 HD12 HD12 ' A' ' 49' ' ' ILE . 1.3 tt -120.73 129.59 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.116 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.53 -162.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 40' ' ' LEU . 1.1 pt? -152.83 -167.59 2.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.835 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.91 132.07 54.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.14 55.33 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.052 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -143.24 -68.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.414 HG23 ' OG1' ' A' ' 46' ' ' THR . 7.7 t -107.79 27.85 8.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.453 ' O ' HG22 ' A' ' 9' ' ' ILE . 46.1 t 46.48 85.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.935 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 3.7 m -147.0 154.87 41.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -115.32 135.75 53.82 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.534 ' O ' HD13 ' A' ' 49' ' ' ILE . 89.0 m-70 -120.72 140.17 52.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 111.429 -178.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 48' ' ' HIS . 14.3 mm -124.82 129.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' THR . 37.3 m-85 -118.9 100.94 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.725 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.54 174.36 15.95 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -115.44 43.15 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 110.418 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.73 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -173.42 119.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.14 -26.53 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.133 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.61 51.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.448 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.37 -45.04 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 53' ' ' ASP . 17.7 t -60.65 -33.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.9 -33.25 57.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -71.5 -33.85 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.02 -35.91 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.324 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -43.74 72.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -31.72 61.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.13 -25.67 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' A' ' 26' ' ' ILE . 16.2 mt -97.23 35.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.463 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.287 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -166.74 -35.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -117.58 94.29 4.48 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 38.9 p-80 -119.59 160.94 21.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.877 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.15 143.44 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.829 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.98 135.93 48.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -169.86 136.54 1.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 45' ' ' CYS . 38.5 pt -66.38 142.91 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.321 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 47' ' ' PHE . 33.1 m -124.5 167.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.52 154.46 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.192 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.12 -38.01 62.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.36 -28.06 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.7 39.24 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.302 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.416 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.757 0.313 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -62.68 -29.75 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.417 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.685 ' HA ' HD21 ' A' ' 64' ' ' LEU . 4.2 mt -73.74 -42.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.58 -27.48 64.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -72.65 -49.72 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.43 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.33 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -38.24 67.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -32.72 55.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.456 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 t -56.97 136.14 79.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -75.27 115.49 4.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.086 . . . . 0.0 111.935 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.476 ' O ' ' HA2' ' A' ' 51' ' ' GLY . . . 144.29 -24.39 2.04 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.401 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 6.0 t -85.9 111.19 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.986 0.422 . . . . 0.0 111.058 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 50' ' ' TYR . 9.2 t -74.77 -23.55 58.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.569 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -178.17 165.3 1.87 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 49' ' ' ILE . 2.4 tt -139.93 134.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.47 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 20.1 p-10 -157.94 -169.18 2.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -158.93 -162.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.196 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.76 130.0 20.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.447 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.51 -41.3 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -30.8 62.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.7 -22.27 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.748 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.47 ' O ' HG22 ' A' ' 9' ' ' ILE . 16.4 t 65.96 49.82 1.57 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.113 0.482 . . . . 0.0 110.074 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 47' ' ' PHE . 15.5 m -136.92 166.91 22.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.715 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -117.93 140.86 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.536 ' C ' HD13 ' A' ' 49' ' ' ILE . 89.8 m-70 -122.66 125.07 44.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.428 0.632 . . . . 0.0 111.509 -178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 48' ' ' HIS . 5.7 mm -118.99 129.76 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.482 ' HB3' ' CG2' ' A' ' 36' ' ' THR . 64.4 m-85 -114.71 118.31 33.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 0.0 110.725 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -139.89 179.87 18.47 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.0 34.44 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.233 0.539 . . . . 0.0 110.237 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -170.76 108.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.202 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -49.49 -27.04 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -42.48 86.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.452 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -42.45 26.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.42 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 53' ' ' ASP . 40.2 t -51.26 -52.32 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.412 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -45.87 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -43.22 93.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.261 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.39 83.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -31.74 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 11.3 t -68.51 -33.13 73.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.391 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.92 -31.8 63.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.685 HD21 ' HA ' ' A' ' 26' ' ' ILE . 34.3 mt -83.81 -62.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 62' ' ' SER . 18.1 mt-10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 p . . . . . 0 CA--C 1.523 -0.094 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 2' ' ' SER . 1.6 tpt180 88.65 -25.5 0.08 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.357 0.663 . . . . 0.0 111.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' HG21 ' A' ' 57' ' ' VAL . 96.8 m-85 -120.9 89.77 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.071 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 31.2 p-80 -124.3 172.5 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.81 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -154.51 139.14 16.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.844 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.79 140.31 50.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -160.37 163.63 33.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.331 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -101.27 149.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.82 165.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -99.8 152.26 20.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.358 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.38 -33.22 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.63 -54.21 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.95 35.83 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.371 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.426 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.706 ' HB1' ' HB3' ' A' ' 27' ' ' GLN . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -53.89 -41.2 67.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' A' ' 64' ' ' LEU . 26.4 mm -70.84 -36.43 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.133 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.706 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.3 tt0 -72.81 -37.53 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.255 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.8 mt-30 -56.78 -48.85 76.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.235 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -63.41 -27.73 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.185 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.32 -43.83 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.404 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -52.41 -30.95 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' GLN . 35.5 t -54.91 129.57 65.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.89 66.06 8.21 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.428 2.086 . . . . 0.0 112.045 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.62 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 29' ' ' ALA . 60.7 t -58.67 100.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -36.37 72.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.33 149.74 30.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.16 136.23 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.057 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.2 151.65 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.632 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 55.1 tp -120.54 149.73 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.023 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.84 122.44 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.635 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -106.99 44.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.202 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.09 -62.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.261 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.404 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 0.2 OUTLIER -99.96 23.11 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.2 t 46.73 36.46 3.81 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.381 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' HB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -95.15 163.86 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.235 -179.176 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.632 ' CZ ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -139.74 129.3 24.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.08 179.316 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' HD13 ' A' ' 49' ' ' ILE . 11.1 m-70 -119.63 127.83 53.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.187 0.518 . . . . 0.0 111.064 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 14.7 mm -120.59 126.66 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.954 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 5' ' ' HIS . 74.3 m-85 -116.88 101.27 8.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.145 0.498 . . . . 0.0 110.629 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.5 169.21 12.79 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -98.38 -20.85 16.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.588 0.233 . . . . 0.0 110.857 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' VAL . 83.4 m-20 -125.71 128.4 47.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 110.302 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.48 -41.72 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.361 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.67 -35.35 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.44 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.06 -37.12 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.456 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 53' ' ' ASP . 48.5 t -64.25 -38.05 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.493 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -73.72 -46.68 44.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -33.38 69.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.81 -27.9 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -31.72 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.253 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -77.43 -42.9 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -56.01 -51.13 68.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.661 ' CD2' HD13 ' A' ' 26' ' ' ILE . 15.0 mt -51.67 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.456 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' OXT' ' CG ' ' A' ' 65' ' ' GLU . 14.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.532 ' CB ' HG21 ' A' ' 36' ' ' THR . 1.8 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.746 0.308 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -130.79 -39.78 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER -119.91 136.87 54.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.454 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 36.1 p-80 -145.75 169.83 17.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.719 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -150.78 130.59 13.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.413 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 111.036 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -146.97 124.39 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.236 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 pt -65.57 144.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.216 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -120.67 139.45 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.86 150.89 46.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.16 -50.41 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.403 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.92 -50.5 70.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.07 60.35 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' OD1' HG13 ' A' ' 26' ' ' ILE . 4.8 p30 -84.55 -46.13 11.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.401 HG13 ' OD1' ' A' ' 25' ' ' ASN . 2.4 mp -56.14 -67.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 0.0 111.265 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -40.74 -42.5 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.774 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 12.8 mm100 -53.56 -54.45 37.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.47 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -31.98 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.296 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -25.32 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -76.39 -26.29 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.589 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.39 136.28 76.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -77.55 107.51 2.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.501 2.134 . . . . 0.0 112.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.89 -39.6 1.13 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.1 t -58.95 89.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.292 . . . . 0.0 110.35 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.532 HG21 ' CB ' ' A' ' 2' ' ' SER . 6.3 t -53.77 -26.45 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.81 0.338 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 178.11 166.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.363 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.1 tt -134.7 151.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.411 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -144.53 151.73 39.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 41' ' ' ASP . 1.3 tt -119.97 144.69 47.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.06 111.87 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -100.74 -33.69 10.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.096 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -55.38 -40.5 71.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -121.02 20.78 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 42.97 86.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.622 0.248 . . . . 0.0 110.792 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m -159.21 155.23 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.736 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.44 125.3 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.648 ' C ' HD13 ' A' ' 49' ' ' ILE . 45.2 m-70 -118.59 127.5 53.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.103 0.478 . . . . 0.0 111.139 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 48' ' ' HIS . 5.0 mm -120.52 136.25 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.993 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -119.42 120.77 37.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 110.025 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -141.86 146.67 17.9 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -77.23 -35.7 55.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.61 126.57 38.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.191 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.63 -30.87 67.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.337 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.91 -27.02 57.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.98 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.396 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.69 -33.47 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.571 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -70.41 -53.67 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.42 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -60.25 -32.81 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.41 -41.5 69.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -64.34 -36.15 83.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 -24.95 63.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -83.8 -26.83 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.599 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.9 -33.51 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.374 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 26.32 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.617 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 2.0 m-85 -146.21 78.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.977 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 29.9 p-80 -119.31 169.58 9.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -150.38 136.38 18.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.253 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 139.37 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -158.99 151.28 21.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 45' ' ' CYS . 5.8 pt -75.99 157.75 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.145 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 47' ' ' PHE . 95.3 t -133.23 141.34 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.41 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.33 146.04 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.285 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.25 -26.03 6.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -67.33 -42.99 82.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.422 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 65' ' ' GLU . 1.5 mp -110.08 35.12 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.407 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -81.41 -37.87 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.562 ' HA ' HD11 ' A' ' 64' ' ' LEU . 3.6 mt -57.29 -46.49 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.35 -24.93 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.686 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.2 mm100 -77.56 -44.58 28.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.23 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -60.64 -29.84 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.214 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -80.11 -29.36 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.362 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -28.82 67.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 28' ' ' GLN . 48.9 t -57.42 134.37 81.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.366 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.9 99.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.438 2.092 . . . . 0.0 111.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.96 -47.86 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 56.7 t -56.5 109.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.645 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' TYR . 21.9 p -59.53 -51.62 69.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.328 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.17 156.39 19.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.5 tt -119.77 141.15 41.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.605 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -141.84 150.37 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.347 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 41' ' ' ASP . 1.0 OUTLIER -119.85 153.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.156 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.64 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.84 113.13 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.363 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -100.08 30.08 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.758 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.71 -40.5 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.405 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.444 HG23 ' OG1' ' A' ' 46' ' ' THR . 9.9 t -129.01 22.03 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.437 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER 47.72 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.463 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.444 ' OG1' HG23 ' A' ' 44' ' ' THR . 2.3 m -160.84 160.44 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.587 ' CE2' HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -120.7 128.92 53.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.231 179.22 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.59 126.14 50.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.495 0.665 . . . . 0.0 111.285 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 24.2 mm -119.4 130.26 74.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' THR . 93.2 m-85 -116.08 95.76 5.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.105 0.478 . . . . 0.0 110.567 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -111.73 177.1 18.68 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -114.28 -33.49 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.803 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -103.19 148.44 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.169 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.495 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 2.1 mp0 -62.94 -54.65 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.269 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.19 70.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.4 80.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.659 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 53' ' ' ASP . 13.8 t -74.51 -46.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.589 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -62.05 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -49.41 -47.02 48.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -54.69 -60.43 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.497 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -60.35 -28.13 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -42.11 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.566 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.6 ' HB2' HD12 ' A' ' 64' ' ' LEU . 3.1 m-85 -75.38 -38.04 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.6 HD12 ' HB2' ' A' ' 63' ' ' PHE . 6.7 mp -94.49 47.81 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.382 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.517 0.199 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.41 -45.62 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 109.981 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -122.72 104.8 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 49.4 p-80 -130.94 149.52 52.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -122.47 146.8 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.634 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -126.46 140.98 52.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.996 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -157.54 158.56 35.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 pt -103.67 140.75 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.62 135.28 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.386 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -70.23 170.1 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.03 -27.62 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.9 -43.01 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.371 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.18 -15.7 61.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.796 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.767 0.318 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 15.1 m-20 -81.98 -41.94 20.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.455 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.539 ' HA ' HD21 ' A' ' 64' ' ' LEU . 13.4 pt -54.69 -33.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.304 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 26' ' ' ILE . 42.0 mt-30 -73.42 -47.36 42.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -56.69 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.89 -36.5 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -33.28 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -67.33 -36.76 82.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' ' 33' ' ' PRO . 91.3 t -57.67 139.06 81.98 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.2 Cg_endo -77.12 103.71 1.79 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.409 2.073 . . . . 0.0 111.994 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.97 -55.26 0.36 Allowed Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 59.9 t -55.31 102.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.382 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -78.72 -25.5 44.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.04 161.21 6.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.106 0.479 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 tt -128.79 138.23 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.546 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.25 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 111.289 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 24.9 tp -120.77 158.99 26.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.706 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -119.3 128.77 54.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.519 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -93.77 -61.43 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.936 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.18 -62.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.3 m -107.33 96.12 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.275 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.5 t -42.19 102.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.332 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -153.97 162.06 41.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.44 127.24 50.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 37.7 m-70 -119.74 132.9 55.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.7 mm -119.51 132.33 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.94 102.85 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 0.0 111.434 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -122.22 168.17 14.78 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -105.31 -21.65 13.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.7 0.286 . . . . 0.0 110.398 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.504 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.7 t0 -107.22 125.22 50.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.191 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -53.6 -28.58 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.416 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.54 -29.56 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -32.48 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.586 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 53' ' ' ASP . 15.7 t -67.73 -46.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -64.25 -58.41 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -51.13 -46.97 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.62 80.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.473 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.79 -39.91 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -54.17 50.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.26 -59.12 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 26' ' ' ILE . 50.4 mt -49.4 -39.93 34.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.369 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.732 0.301 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -76.89 -40.45 47.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.78 153.94 45.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.527 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 8.7 p-80 -156.98 175.95 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.238 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.452 ' HB2' HG11 ' A' ' 57' ' ' VAL . 11.0 tp10 -147.06 134.21 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -125.96 115.47 19.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.464 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 61' ' ' ARG . 30.0 p90 -134.5 138.96 45.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.638 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 pt -74.05 135.53 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.8 142.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.815 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -170.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.52 -41.2 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.244 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -64.93 -45.26 86.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.31 31.37 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.341 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.769 0.319 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -84.32 -44.4 13.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.656 ' HA ' HD21 ' A' ' 64' ' ' LEU . 21.5 pt -60.63 -36.3 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.982 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' N ' HG13 ' A' ' 26' ' ' ILE . 25.8 tt0 -65.87 -39.59 90.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.695 0.283 . . . . 0.0 110.74 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' VAL . 8.6 mm100 -59.41 -39.1 82.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -69.35 -27.08 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.17 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -84.2 -26.88 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -71.41 -30.93 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 28' ' ' GLN . 20.6 t -63.29 136.62 96.78 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.39 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.53 95.94 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.551 2.167 . . . . 0.0 112.048 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.91 -51.97 0.23 Allowed Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG21 ' O ' ' A' ' 29' ' ' ALA . 17.1 t -54.32 153.82 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.418 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.3 p -115.14 -36.29 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.262 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -167.76 174.14 7.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.5 tt -151.21 150.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.68 170.14 17.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 41' ' ' ASP . 4.9 tt -130.43 143.15 50.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.785 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -119.87 114.08 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.352 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -100.95 -21.82 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.608 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -50.05 -43.38 50.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.827 0.346 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.406 HG23 ' OG1' ' A' ' 46' ' ' THR . 5.1 t -135.93 29.2 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.369 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 50.08 81.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.812 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 41' ' ' ASP . 3.1 m -144.2 156.57 44.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -119.44 133.97 55.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.387 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -119.52 129.23 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.851 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 18.2 mm -119.77 132.52 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.807 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -117.88 96.26 5.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.95 0.405 . . . . 0.0 110.619 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -127.78 138.5 10.48 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -20.1 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.2 m-20 -117.41 120.11 37.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -56.29 -28.17 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.209 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.66 -45.51 86.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.14 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.419 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 53' ' ' ASP . 44.7 t -61.58 -37.72 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.507 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -64.84 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -50.95 -37.97 47.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -61.27 -53.07 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.485 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 1.9 tmm_? -54.44 -43.21 71.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -41.72 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.803 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.13 -33.47 74.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.656 HD21 ' HA ' ' A' ' 26' ' ' ILE . 5.9 mp -95.42 -77.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.596 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' ARG . 19.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 50' ' ' TYR . 6.6 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.794 0.33 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -37.62 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -120.0 129.24 54.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.09 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 45.5 p-80 -141.54 151.49 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -128.16 130.82 48.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.929 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -119.46 125.13 48.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -141.62 133.29 27.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.263 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 pt -69.86 137.6 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.76 130.13 68.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.319 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HD3' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.44 163.48 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -33.63 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -66.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.422 ' CD1' ' HD3' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -71.34 -20.78 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.7 tpp . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.326 . . . . 0.0 110.715 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLN . . . . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -31.3 -54.25 0.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.61 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.649 ' HA ' HD21 ' A' ' 64' ' ' LEU . 22.6 mm -53.8 -42.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.065 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' ALA . 9.4 tt0 -63.22 -50.98 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.609 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -46.88 -48.06 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.023 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -59.25 -34.2 71.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.268 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -74.1 -38.36 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.266 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -57.52 -26.69 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG13 ' HD2' ' A' ' 33' ' ' PRO . 80.9 t -54.46 138.49 59.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.265 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.6 Cg_endo -81.18 57.74 6.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.144 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -176.08 40.13 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -141.71 81.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -49.55 -45.56 47.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.563 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.41 165.9 34.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.077 0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 49' ' ' ILE . 12.1 tt -141.72 145.78 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.912 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.01 150.96 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.093 0.473 . . . . 0.0 111.085 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.887 HD23 ' N ' ' A' ' 41' ' ' ASP . 2.6 tt -121.66 156.37 33.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.862 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.887 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -119.59 112.81 19.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.01 0.433 . . . . 0.0 110.506 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -98.81 25.37 6.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.34 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.185 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.762 HG23 ' OG1' ' A' ' 46' ' ' THR . 9.8 t -106.91 23.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.83 78.28 0.07 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.735 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.762 ' OG1' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -136.61 150.44 48.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.467 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.27 122.03 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -118.31 128.73 54.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.173 0.511 . . . . 0.0 110.725 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 38' ' ' ILE . 9.7 mm -119.56 130.17 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.4 ' HB3' ' CB ' ' A' ' 2' ' ' SER . 35.5 m-85 -117.24 120.26 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.151 0.501 . . . . 0.0 110.393 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.75 -153.77 6.75 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -128.4 -41.24 1.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.626 0.251 . . . . 0.0 110.672 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -102.37 127.87 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -57.13 -26.02 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.45 -41.43 63.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.436 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -63.62 -54.71 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.739 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -49.09 -40.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.575 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -57.66 -41.92 82.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.77 -42.7 90.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.37 -33.48 76.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.71 -32.21 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 t -64.25 -42.71 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -72.55 -21.12 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.649 HD21 ' HA ' ' A' ' 26' ' ' ILE . 88.4 mt -94.97 32.75 1.61 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.802 0.334 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.42 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.836 0.351 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.76 -39.83 9.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -119.82 147.34 44.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.283 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 46.2 p-80 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.389 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -120.01 158.36 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.143 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -141.69 136.91 31.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.029 0.443 . . . . 0.0 110.971 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 5.6 p90 -160.32 131.41 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.175 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 pt -66.19 138.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.1 t -123.05 151.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -84.04 147.46 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.266 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.4 -35.32 63.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.16 31.09 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.374 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 27' ' ' GLN . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -46.74 -54.3 10.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.066 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.424 ' HA ' HD21 ' A' ' 64' ' ' LEU . 13.4 mt -70.3 -36.23 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.542 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.771 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -68.67 -44.47 73.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.614 0.245 . . . . 0.0 110.635 -179.541 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 24' ' ' ALA . 2.4 mt-30 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.218 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -57.82 -42.29 84.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -71.02 -38.59 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.23 -34.75 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.246 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG13 ' HD2' ' A' ' 33' ' ' PRO . 46.5 t -56.18 139.85 71.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.235 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.0 Cg_endo -75.94 118.24 4.96 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.456 2.104 . . . . 0.0 112.086 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.07 -36.42 2.21 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.714 HG21 ' O ' ' A' ' 29' ' ' ALA . 24.3 t -57.19 89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 52' ' ' GLU . 27.7 p -58.89 -40.3 84.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.73 -177.13 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -144.45 141.29 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.86 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.22 172.61 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.074 0.464 . . . . 0.0 110.987 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.33 149.82 30.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.739 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.24 109.15 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.435 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -83.28 -31.74 26.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.659 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.48 -59.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 m -70.76 -26.93 63.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 t 71.9 71.94 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 47' ' ' PHE . 2.0 m -151.25 171.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.659 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.53 ' H ' HG22 ' A' ' 46' ' ' THR . 0.2 OUTLIER -117.82 130.0 56.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.429 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.404 ' O ' HD13 ' A' ' 49' ' ' ILE . 93.0 m-70 -119.77 128.83 54.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 111.288 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 21.4 mm -118.77 133.49 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -115.08 105.56 13.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 110.266 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.2 122.17 3.97 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' H ' HG23 ' A' ' 36' ' ' THR . 0.1 OUTLIER -62.01 -29.36 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.262 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 139.53 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.421 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -68.05 -40.58 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.262 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.68 -31.29 71.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.61 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 58' ' ' LYS . 9.5 p -50.46 -46.06 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.493 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' N ' HG13 ' A' ' 57' ' ' VAL . 1.3 mmmt -59.33 -46.36 88.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.479 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.03 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.401 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -62.27 -39.21 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.439 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -57.1 -49.04 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -37.26 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -59.48 -34.46 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.356 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 26' ' ' ILE . 2.2 mt -90.73 -26.07 19.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.525 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.776 0.322 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.75 23.34 8.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.679 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.498 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 20.3 m-85 -141.93 72.59 1.38 Allowed 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 41.5 p-80 -119.42 157.06 28.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.844 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.12 146.87 47.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.166 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -121.51 152.84 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.489 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -179.45 150.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.178 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 45' ' ' CYS . 3.2 pt -87.31 151.04 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 0.0 110.775 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 10' ' ' VAL . 17.7 m -123.69 118.02 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.09 143.53 17.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -60.88 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.266 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -53.12 -29.2 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.374 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.45 36.8 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.426 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -81.86 -50.94 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.594 ' HA ' HD21 ' A' ' 64' ' ' LEU . 45.9 mt -56.12 -64.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.81 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -47.06 -37.71 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.419 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -68.26 -44.04 76.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.5 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -70.44 -38.7 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.285 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -54.14 -40.67 67.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 33' ' ' PRO . 45.2 t -51.95 139.18 33.32 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 32' ' ' VAL . 47.3 Cg_endo -73.92 134.17 19.39 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.489 2.126 . . . . 0.0 111.966 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.77 1.08 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -57.73 130.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.53 -26.95 15.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.21 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.76 175.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.984 0.421 . . . . 0.0 111.059 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.543 HD13 HG23 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -119.52 135.05 61.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.616 179.318 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.15 136.84 50.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.472 . . . . 0.0 111.125 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 6.8 tp -127.83 150.68 49.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.38 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.44 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 119.57 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 111.089 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.38 -76.36 0.06 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' CYS . 2.2 m-20 -47.87 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.386 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.468 ' O ' HG22 ' A' ' 46' ' ' THR . 0.0 OUTLIER -63.1 81.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.061 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.486 ' O ' HG22 ' A' ' 9' ' ' ILE . 49.0 t -48.82 90.08 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.715 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' THR . 6.3 t -157.92 174.39 15.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.109 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.3 134.97 54.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -119.87 138.69 53.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.085 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 22.2 mm -119.28 137.33 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -116.4 93.62 4.3 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.417 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.91 162.32 17.98 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -102.88 -24.06 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.628 0.252 . . . . 0.0 110.593 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.48 170.11 9.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.867 0.365 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -83.84 -57.3 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.424 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 -29.0 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.1 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.27 -44.76 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.36 -45.16 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -52.25 56.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.437 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -53.28 -40.06 64.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.529 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 4.3 ttp180 -65.13 -32.48 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 t -70.25 -37.27 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.35 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.77 -29.62 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.437 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 26' ' ' ILE . 5.8 mt -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.3 mm-40 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.358 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 4' ' ' PHE . 5.6 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.801 0.334 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.36 -66.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -119.87 137.34 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -157.66 160.25 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.2 127.46 19.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.151 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 15.9 pt20 -120.14 131.25 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.93 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -147.37 162.18 39.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.305 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.8 pt -90.43 151.68 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 47' ' ' PHE . 74.6 t -123.49 142.53 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.46 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.01 135.71 51.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -46.81 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.35 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -57.46 -52.7 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.36 49.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -86.28 -52.47 5.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 111.625 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -45.9 -61.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.73 -44.12 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.723 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 79.0 mm-40 -48.32 -50.43 30.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.642 0.258 . . . . 0.0 110.962 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -58.29 -39.46 79.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.8 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -68.58 -30.11 68.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -28.03 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.654 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.28 128.54 78.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.06 62.84 7.58 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.53 2.153 . . . . 0.0 112.065 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -178.35 38.17 0.08 OUTLIER Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 29' ' ' ALA . 14.3 t -130.6 93.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.306 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -57.31 -26.32 60.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.454 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 36' ' ' THR . . . 176.98 161.79 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.875 0.369 . . . . 0.0 110.751 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 38' ' ' ILE . 3.2 tt -132.59 126.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.04 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -129.81 153.6 48.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.116 0.484 . . . . 0.0 111.032 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 20.9 tp -123.76 159.15 30.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.586 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.35 129.13 55.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.914 0.387 . . . . 0.0 110.073 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -91.36 -62.6 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -31.5 4.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.887 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' THR . 99.2 m -131.33 106.38 8.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 37.0 t -49.23 92.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 47' ' ' PHE . 27.8 m -152.92 158.89 42.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.313 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' HD2' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -119.14 130.13 55.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.392 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.506 ' O ' HD13 ' A' ' 49' ' ' ILE . 4.6 m80 -119.16 130.19 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.129 0.49 . . . . 0.0 110.671 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 48' ' ' HIS . 10.2 mm -118.92 135.01 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.64 108.01 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.39 133.38 5.58 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -58.87 -31.5 68.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.674 0.273 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.633 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -109.83 154.8 22.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.587 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 23.1 pt20 -82.68 -38.04 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.983 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 2.8 t0 -56.08 -41.16 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.426 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -69.16 -43.75 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.372 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 53' ' ' ASP . 59.4 t -65.2 -33.39 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.48 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -37.07 74.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -79.37 -28.44 41.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.144 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.04 32.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.275 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.9 OUTLIER -63.43 -25.51 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.35 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -69.48 -30.49 68.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 0.0 109.976 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.59 -49.52 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.161 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.35 -65.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.43 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.44 ' HB3' HG21 ' A' ' 36' ' ' THR . 2.4 p -122.34 78.43 1.5 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.905 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.0 -0.68 38.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.269 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -124.05 87.88 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 53.3 p-80 -120.54 168.32 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.919 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.55 141.73 25.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.53 141.74 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.245 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -160.25 134.42 7.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.73 143.28 13.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.251 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.88 122.56 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.25 152.51 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.16 -42.98 99.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' HB3' HD23 ' A' ' 14' ' ' LEU . 7.4 t0 -57.94 -43.82 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 13' ' ' ASP . 0.3 OUTLIER -112.54 46.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.366 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -86.31 -44.26 12.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.449 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.84 53.14 0.01 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 tp -110.62 88.78 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.247 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.22 73.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.416 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.6 mm -58.35 105.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.212 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.74 -31.89 0.18 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 p 59.18 -164.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.399 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.1 m80 64.37 48.73 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.31 89.2 0.89 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.65 151.27 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -63.92 -29.54 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.384 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' HA ' HD21 ' A' ' 64' ' ' LEU . 3.0 mp -73.28 -53.01 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.499 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -62.78 -50.81 69.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -50.21 -51.73 41.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -56.23 -30.48 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -33.67 41.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.75 68.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.524 HG13 ' HD2' ' A' ' 33' ' ' PRO . 57.7 t -51.76 140.08 29.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD2' HG13 ' A' ' 32' ' ' VAL . 47.2 Cg_endo -74.74 107.74 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.514 2.143 . . . . 0.0 112.266 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.84 -46.03 0.82 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.89 122.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.44 HG21 ' HB3' ' A' ' 2' ' ' SER . 15.3 t -95.46 -21.29 18.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.54 162.25 2.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 tt -136.27 141.32 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.95 144.03 48.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.461 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 41' ' ' ASP . 6.2 tt -122.07 138.11 54.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.792 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -120.39 125.11 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -103.56 -43.73 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.12 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.44 60.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.948 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -87.66 -18.21 30.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 t 70.57 49.65 0.4 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m -138.32 159.92 40.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.781 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.44 132.9 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.696 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.488 ' C ' HD13 ' A' ' 49' ' ' ILE . 92.9 m-70 -120.02 134.26 55.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.232 0.539 . . . . 0.0 110.655 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.488 HD13 ' C ' ' A' ' 48' ' ' HIS . 6.0 mm -119.79 133.11 67.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.124 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.96 117.98 30.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.185 0.517 . . . . 0.0 110.152 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.01 -171.08 13.26 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.086 -1.205 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -132.44 31.68 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.689 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -164.76 120.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.478 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.1 -42.54 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.264 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.15 -62.06 2.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.456 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.57 -43.98 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 53' ' ' ASP . 67.9 t -64.15 -43.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.519 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -64.44 -27.86 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -77.15 -49.99 13.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.16 -30.68 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -38.66 56.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -67.7 -28.26 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -83.49 -44.62 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 26' ' ' ILE . 13.3 mt -56.94 -38.68 73.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.493 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -132.58 160.17 37.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.393 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -82.37 -42.79 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.227 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.87 160.78 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 19.3 p-80 -156.41 171.72 19.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.086 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.11 135.63 25.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.43 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 1.7 pp0? -126.85 124.15 38.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -150.49 148.53 28.83 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.283 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -77.51 149.89 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.63 149.83 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -74.56 150.09 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.32 -42.13 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.443 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.475 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 14' ' ' LEU . 8.0 mt -105.27 40.88 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -28.88 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.29 50.95 0.41 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.55 53.76 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 110.235 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.25 67.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.412 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.6 mm -84.33 82.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.263 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.49 -64.51 0.2 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.2 p -151.35 -59.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.393 . . . . 0.0 110.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -172.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.701 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 27' ' ' GLN . . . 169.1 60.28 0.03 OUTLIER Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HA ' ' HG2' ' A' ' 28' ' ' GLN . . . -86.12 -1.12 57.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.483 0.182 . . . . 0.0 111.474 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -86.04 0.07 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.635 ' HA ' HD21 ' A' ' 64' ' ' LEU . 27.9 mt -74.98 -47.45 36.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 1.3 mt-30 -50.36 -29.1 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.04 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 91.1 mm-40 -75.91 -58.4 3.3 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -49.66 -28.76 6.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.276 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -32.56 51.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.537 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -27.4 67.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -51.06 128.03 28.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.369 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.82 96.25 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.411 2.074 . . . . 0.0 112.044 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . 159.28 -33.44 0.46 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 29' ' ' ALA . 58.4 t -56.02 130.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.033 0.444 . . . . 0.0 110.401 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 m -93.8 -37.62 11.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.06 166.67 4.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.227 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.1 tt -135.2 145.13 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.088 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.44 151.53 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 110.802 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 39.6 tp -119.93 159.88 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.491 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.64 111.8 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.1 0.476 . . . . 0.0 110.862 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.41 43.62 1.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.897 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.74 -50.84 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.441 HG23 ' OG1' ' A' ' 46' ' ' THR . 13.8 t -132.27 27.88 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 0.0 110.378 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.45 80.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.744 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.455 HG22 ' CD2' ' A' ' 48' ' ' HIS . 16.1 m -134.74 150.88 50.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.986 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.69 121.52 40.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.455 ' CD2' HG22 ' A' ' 46' ' ' THR . 6.8 m170 -118.04 131.24 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 20.8 mm -118.97 138.86 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.72 116.28 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.535 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.92 131.18 3.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.26 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.267 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.6 m-20 -83.71 122.65 28.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.252 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -26.41 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.04 -51.13 63.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -61.96 -39.05 90.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 53' ' ' ASP . 57.5 t -59.85 -43.9 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -57.12 -55.12 38.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.44 -29.73 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.93 76.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.526 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -37.09 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 t -61.09 -33.48 73.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -75.63 -44.06 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 26' ' ' ILE . 88.5 mt -72.89 -17.97 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.814 0.34 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.57 170.28 8.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.307 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -114.52 -22.21 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -120.33 124.21 45.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 110.434 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 15.2 p-80 -142.88 178.78 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.484 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -160.31 143.31 13.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.33 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.8 OUTLIER -121.25 137.0 54.88 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.602 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.465 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 44.5 p90 -157.99 131.73 7.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.9 pt -67.78 179.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.471 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 m -152.44 149.23 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.274 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -72.28 143.03 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -67.64 -42.09 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.33 -27.11 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.06 28.18 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -60.14 2.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.71 87.21 0.16 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 177.59 103.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 110.28 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 22' ' ' HIS . . . -64.7 154.46 36.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.45 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mm -98.62 -60.62 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.23 -92.86 0.25 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -27.05 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.656 0.265 . . . . 0.0 110.563 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -71.24 118.79 14.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.168 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -165.81 168.92 39.89 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.661 ' HB1' ' HG3' ' A' ' 28' ' ' GLN . . . 74.18 60.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.141 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -84.87 -68.19 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.508 ' HA ' HD21 ' A' ' 64' ' ' LEU . 4.1 mt -65.7 -32.53 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.188 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.64 -55.48 9.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 111.111 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.663 ' O ' HG23 ' A' ' 32' ' ' VAL . 29.9 mt-30 -52.19 -46.92 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . . . -56.77 -40.13 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.337 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -71.64 -43.16 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -25.75 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.629 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 28' ' ' GLN . 24.2 t -59.75 133.36 89.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.328 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -81.28 117.09 3.1 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 111.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.77 -39.5 1.56 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.76 134.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -90.48 -48.6 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.04 167.0 16.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 tt -132.74 149.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -160.07 166.21 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tp -131.81 149.11 52.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.961 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.65 143.97 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.81 -37.13 8.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.461 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -60.37 3.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.01 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -25.75 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.64 77.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.683 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -157.16 -168.29 2.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.706 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.82 131.22 56.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.51 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' O ' HD13 ' A' ' 49' ' ' ILE . 21.9 m80 -118.03 124.21 47.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.518 0.675 . . . . 0.0 111.469 -178.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.432 HD13 ' O ' ' A' ' 48' ' ' HIS . 14.0 mm -119.79 129.97 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.141 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' O ' ' CB ' ' A' ' 36' ' ' THR . 6.9 m-85 -118.81 93.12 3.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.885 0.374 . . . . 0.0 110.308 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.9 159.23 14.81 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -98.57 30.51 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.993 0.425 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.34 126.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.092 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.487 ' HA ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -55.31 -24.77 30.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.2 51.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.716 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.46 -42.02 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.705 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 58' ' ' LYS . 9.8 p -65.33 -46.38 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.598 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' N ' HG13 ' A' ' 57' ' ' VAL . 17.9 mmtm -59.91 -46.02 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.633 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -55.64 -39.96 71.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -32.65 73.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.603 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 1.1 tmm_? -67.42 -47.15 71.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.524 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 t -54.72 -35.37 63.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.448 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -83.33 -30.23 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.419 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD21 ' HA ' ' A' ' 26' ' ' ILE . 41.1 mt -89.55 51.22 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.416 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.789 0.328 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -134.05 170.2 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.842 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.31 -40.88 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.18 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 123.46 41.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.72 0.295 . . . . 0.0 110.314 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 22.8 p-80 -141.9 171.1 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.066 0.46 . . . . 0.0 111.154 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -150.06 140.39 22.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.798 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -120.22 141.89 49.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 111.03 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -165.81 145.38 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 45' ' ' CYS . 34.6 pt -84.62 145.73 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -132.92 136.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.226 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.26 -179.58 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -50.63 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.259 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.61 -38.96 84.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.225 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 14' ' ' LEU . 4.5 mm? -67.15 -31.1 71.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.184 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -53.53 45.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.28 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.26 113.74 1.42 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.81 126.17 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.547 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HB1' ' ND1' ' A' ' 22' ' ' HIS . . . -169.16 -175.67 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.411 ' O ' ' NE2' ' A' ' 22' ' ' HIS . 30.1 mm -117.96 89.68 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.137 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.42 32.71 1.2 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 p 48.41 49.13 18.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.767 0.318 . . . . 0.0 110.562 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.485 ' ND1' ' HB1' ' A' ' 18' ' ' ALA . 60.7 m170 -61.97 -57.27 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.709 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.55 76.77 0.19 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -144.83 38.44 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.239 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -85.39 -57.1 3.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.047 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 38' ' ' ILE . 27.0 mt -71.67 -43.23 70.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.856 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.0 -33.76 69.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.432 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 48.5 mm-40 -70.62 -49.53 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.537 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -52.14 -42.32 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.442 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -32.08 72.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.416 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -52.29 131.08 42.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.15 110.23 2.98 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.339 2.026 . . . . 0.0 111.969 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.06 -38.23 1.12 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.29 124.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.653 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.8 p -87.82 -37.76 16.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.176 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -174.57 148.07 1.14 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.506 HG13 HD13 ' A' ' 49' ' ' ILE . 12.0 tt -129.58 153.07 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.279 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -160.95 169.42 22.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.927 0.394 . . . . 0.0 111.077 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' A' ' 47' ' ' PHE . 19.3 tp -119.16 155.31 31.85 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 1.3 m-20 -118.61 139.57 51.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 110.558 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.08 -53.4 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.21 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.74 -35.4 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 m -97.95 -23.02 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.67 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER 56.71 63.95 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.728 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' N ' ' A' ' 47' ' ' PHE . 41.4 m -147.42 167.46 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -116.24 123.55 48.01 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' HD13 ' A' ' 49' ' ' ILE . 16.0 m-70 -117.51 132.52 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.321 0.581 . . . . 0.0 110.654 -178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.0 mm -120.34 131.86 71.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' THR . 28.1 m-85 -115.31 119.11 35.22 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.41 -174.77 15.94 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.48 29.83 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.55 114.01 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.122 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' HA ' ' HG2' ' A' ' 58' ' ' LYS . 9.3 m-20 -80.21 -29.44 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.469 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.37 -31.77 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -79.17 -46.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -57.06 -33.96 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -38.92 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.245 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.26 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.398 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -45.91 83.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.53 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -54.71 -39.3 68.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.52 -42.38 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.449 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.15 -42.5 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.406 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 120.81 0.338 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p -77.87 125.48 29.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -86.08 -21.79 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.124 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.1 145.63 45.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -138.21 166.38 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.612 0.72 . . . . 0.0 112.106 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -144.05 106.34 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.543 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 6.2 pt20 -118.54 125.76 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 111.648 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -147.39 162.03 39.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.38 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pt -93.37 136.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.072 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.3 139.08 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -65.99 139.29 58.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -51.32 -35.66 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.99 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.12 36.72 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.2 ttm -74.99 -37.39 61.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.5 64.64 0.04 OUTLIER Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 25.3 mt -90.76 -69.43 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 110.171 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 66.66 -69.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.649 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' LEU . 11.3 mm 47.92 62.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.06 83.54 1.54 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 m -157.66 115.01 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.337 . . . . 0.0 110.52 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -84.42 74.92 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.221 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.09 77.62 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . -108.23 153.68 22.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -84.59 -35.58 22.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.663 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mt -47.87 -63.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -61.74 -45.16 95.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 16.9 mm100 -53.22 -39.21 63.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.05 -28.08 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.107 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -35.55 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.9 -29.98 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 32' ' ' VAL . 27.8 t -50.75 136.48 26.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.495 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -79.33 129.64 8.71 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.504 2.136 . . . . 0.0 111.928 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.27 -27.96 6.2 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.88 144.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' TYR . 2.8 m -96.96 -42.95 7.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.849 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.93 174.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.35 135.82 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.259 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.65 147.48 41.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 23.4 tp -120.51 156.0 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.88 133.6 55.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.404 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -116.79 47.63 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.44 -48.89 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.483 HG23 ' OG1' ' A' ' 46' ' ' THR . 7.5 t -132.33 29.99 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.285 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 m 50.21 80.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' HG23 ' A' ' 44' ' ' THR . 4.1 m -136.51 150.69 48.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.15 0.5 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.94 120.9 38.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.459 ' O ' HD13 ' A' ' 49' ' ' ILE . 16.6 m-70 -118.46 144.21 46.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.122 0.487 . . . . 0.0 111.049 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.465 HD11 HD13 ' A' ' 64' ' ' LEU . 15.1 mm -119.13 143.14 31.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' THR . 5.3 m-30 -115.2 103.69 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' HG22 ' A' ' 57' ' ' VAL . . . -136.57 174.42 21.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.34 29.14 3.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.785 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -155.7 117.59 4.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.295 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -55.11 -28.35 51.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -71.09 -55.9 7.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.79 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 53' ' ' ASP . 57.7 t -50.32 -31.67 8.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.451 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -79.27 -40.89 29.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.147 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -43.85 95.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.154 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.18 78.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.176 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.11 -32.06 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -52.57 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.25 -36.66 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.309 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.465 HD13 HD11 ' A' ' 49' ' ' ILE . 19.2 mt -62.55 -76.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.398 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 120.842 0.353 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -53.11 176.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.107 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -93.92 -29.16 15.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -126.43 107.13 9.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 110.964 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 17.2 p-80 -131.95 167.63 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.889 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -144.38 146.83 32.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 110.781 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 7.7 pt20 -126.81 118.6 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.079 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -149.94 152.15 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.486 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.43 ' O ' HG13 ' A' ' 10' ' ' VAL . 11.6 pt -81.45 -174.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' HA ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -155.04 72.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.544 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 43.9 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.055 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -108.14 -28.9 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.215 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.28 -52.05 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.321 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.13 27.61 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.535 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.621 ' HA ' HG23 ' A' ' 10' ' ' VAL . 9.4 tpt -66.28 -58.35 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.74 61.23 0.04 OUTLIER Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.15 81.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.35 137.18 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mm -111.74 82.62 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.59 118.73 0.01 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.6 m -113.51 -50.02 2.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.226 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.51 -75.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.25 -36.23 3.67 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.629 ' HB1' HD12 ' A' ' 26' ' ' ILE . . . 65.63 133.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.262 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -78.08 -24.47 47.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.629 HD12 ' HB1' ' A' ' 24' ' ' ALA . 1.5 mp -56.12 -46.74 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.542 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -65.6 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.625 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.55 -47.68 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.464 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.85 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.199 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -72.59 -36.37 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.158 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -34.28 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.308 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.13 122.71 24.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -76.64 100.59 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.327 2.018 . . . . 0.0 112.184 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.51 -46.73 0.23 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.414 ' HA ' ' CA ' ' A' ' 51' ' ' GLY . 11.7 m -55.44 172.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.11 -41.27 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.76 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.38 170.63 4.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.307 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 tt -138.14 144.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -160.14 163.66 33.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.861 0.362 . . . . 0.0 110.718 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 46' ' ' THR . 33.8 tp -119.91 149.23 42.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.742 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.624 ' HB3' HG22 ' A' ' 44' ' ' THR . 48.1 m-20 -122.17 144.97 48.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 110.926 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -103.38 -39.35 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.192 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.98 -57.21 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.226 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.653 HG23 HG22 ' A' ' 46' ' ' THR . 9.6 t -81.32 -20.25 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.455 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.3 m 56.26 84.89 0.08 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 HG23 ' A' ' 44' ' ' THR . 10.7 t -172.49 -169.95 0.65 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -117.87 135.58 54.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.405 ' CD2' HG23 ' A' ' 46' ' ' THR . 19.2 m-70 -118.25 128.26 54.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.587 0.708 . . . . 0.0 111.019 -178.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 60' ' ' ALA . 13.2 mm -120.9 136.21 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.319 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -119.63 134.54 55.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.674 ' HA3' HG22 ' A' ' 57' ' ' VAL . . . -167.05 141.83 7.17 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -77.64 -19.19 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.591 0.234 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -116.28 114.73 24.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.752 0.31 . . . . 0.0 110.358 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -50.18 -50.36 49.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -52.59 -40.55 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.52 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.48 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 53' ' ' ASP . 21.6 t -65.81 -36.1 76.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.362 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -66.93 -38.65 86.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' A' ' 49' ' ' ILE . . . -56.28 -59.47 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -54.77 -25.59 28.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.37 -34.62 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -88.53 -29.05 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 26' ' ' ILE . 7.5 mt -88.22 54.07 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.348 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.383 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.784 0.326 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.438 ' HB3' HG21 ' A' ' 36' ' ' THR . 0.0 OUTLIER 50.13 92.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.933 0.396 . . . . 0.0 110.393 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -29.78 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.51 148.35 46.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 0.0 110.387 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 20.3 p-80 -154.99 179.24 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.309 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -148.44 139.76 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -136.64 113.1 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.392 179.409 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.498 ' CE1' ' HG3' ' A' ' 61' ' ' ARG . 21.9 p90 -136.29 135.03 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.4 pt -59.3 141.5 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.274 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.525 HG21 ' CD1' ' A' ' 47' ' ' PHE . 91.3 t -126.47 137.65 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.78 140.06 51.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -56.56 -35.78 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.45 -31.26 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -107.74 36.59 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.372 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -76.47 -38.26 55.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.352 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.66 42.56 0.49 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.2 tt -138.1 89.93 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.54 143.55 41.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.397 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 19' ' ' ILE . 3.8 mp -86.17 85.92 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.28 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.18 -80.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 p -116.73 45.13 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.268 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -68.4 162.06 26.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.33 38.31 91.28 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -124.39 -33.4 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.377 0.132 . . . . 0.0 111.168 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -85.54 -66.17 0.93 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.524 HG22 HD21 ' A' ' 64' ' ' LEU . 26.1 pt -53.84 -42.66 53.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 26' ' ' ILE . 2.0 mm-40 -52.56 -46.27 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.668 0.27 . . . . 0.0 111.008 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.7 mt-30 -58.32 -48.05 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.43 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.747 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -56.6 -30.36 63.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.337 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -78.01 -39.03 43.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -61.95 -28.74 69.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.658 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 28' ' ' GLN . 99.1 t -61.13 128.3 89.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.74 76.27 4.38 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.398 2.066 . . . . 0.0 112.144 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' HA3' ' HB1' ' A' ' 56' ' ' ALA . . . -171.86 -46.35 0.04 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 29' ' ' ALA . 12.5 t -58.56 83.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.843 HG22 ' O ' ' A' ' 50' ' ' TYR . 9.8 t -51.13 -25.43 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 178.06 144.56 0.11 Allowed 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.31 141.15 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.71 161.14 39.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 47' ' ' PHE . 18.4 tp -121.48 153.14 38.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 2.1 m-20 -119.37 161.7 20.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.696 0.284 . . . . 0.0 110.386 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -130.51 -49.39 1.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.567 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.58 -33.29 60.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.572 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 t -109.96 -21.38 12.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 81.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 47' ' ' PHE . 32.7 m -157.52 168.44 27.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.97 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -116.21 127.7 54.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.414 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.448 ' C ' HD13 ' A' ' 49' ' ' ILE . 95.0 m-70 -117.67 129.77 55.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.53 0.681 . . . . 0.0 110.99 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.448 HD13 ' C ' ' A' ' 48' ' ' HIS . 4.6 mm -119.47 133.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.611 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.843 ' O ' HG22 ' A' ' 36' ' ' THR . 15.2 m-85 -117.9 112.18 19.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.0 110.376 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -140.46 176.12 21.6 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -107.08 -24.82 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -113.95 131.19 56.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.375 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -55.74 -36.61 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.26 -31.81 73.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB1' ' HA3' ' A' ' 34' ' ' GLY . . . -74.35 -44.87 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 6' ' ' GLU . 38.9 t -64.85 -32.51 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -52.51 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.2 -33.3 52.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.258 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.26 -57.41 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 8' ' ' PHE . 4.0 ttp180 -55.48 -28.27 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.244 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -46.72 86.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.127 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.432 ' HB2' HD12 ' A' ' 64' ' ' LEU . 2.9 m-85 -76.13 -24.15 54.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.416 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.747 ' CD1' ' HB2' ' A' ' 29' ' ' ALA . 6.2 mp -107.06 61.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.365 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 120.784 0.326 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.99 91.45 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.32 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -81.85 -16.15 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.569 ' HB3' HG21 ' A' ' 57' ' ' VAL . 3.4 m-85 -121.03 132.09 54.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.854 0.359 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 53.7 p-80 -152.19 155.92 38.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.447 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -129.53 150.32 50.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.686 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.86 149.44 51.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.058 0.456 . . . . 0.0 111.317 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -175.74 132.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.907 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 45' ' ' CYS . 39.7 pt -59.21 170.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.564 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' A' ' 47' ' ' PHE . 3.0 m -148.28 105.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.377 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -54.61 151.36 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.166 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -30.97 71.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.53 31.21 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -39.84 67.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.192 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.21 31.73 3.98 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.17 40.24 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.714 0.292 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.98 26.83 9.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 mm 45.44 92.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.955 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.91 -119.21 0.04 OUTLIER Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.68 86.41 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 57.62 89.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.52 128.85 4.74 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.55 158.12 19.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.365 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.84 -39.63 81.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.272 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.471 ' HA ' HD21 ' A' ' 64' ' ' LEU . 2.5 mt -55.65 -30.92 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.165 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -82.88 -45.18 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -58.91 -50.84 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.08 95.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.44 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -64.08 -34.85 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.368 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -67.74 -25.99 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.315 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG13 ' HD2' ' A' ' 33' ' ' PRO . 57.9 t -55.38 139.68 66.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HD2' HG13 ' A' ' 32' ' ' VAL . 49.4 Cg_endo -78.91 87.62 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.543 2.162 . . . . 0.0 112.138 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.08 -51.82 0.15 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.93 115.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' TYR . 16.7 p -78.57 -33.87 47.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.014 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.72 145.29 12.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.611 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.509 HD12 HD12 ' A' ' 49' ' ' ILE . 1.3 tt -120.73 129.59 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.116 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.53 -162.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' H ' HD23 ' A' ' 40' ' ' LEU . 1.1 pt? -152.83 -167.59 2.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.835 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.91 132.07 54.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.14 55.33 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.052 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -143.24 -68.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.414 HG23 ' OG1' ' A' ' 46' ' ' THR . 7.7 t -107.79 27.85 8.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.453 ' O ' HG22 ' A' ' 9' ' ' ILE . 46.1 t 46.48 85.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.935 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 3.7 m -147.0 154.87 41.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -115.32 135.75 53.82 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.534 ' O ' HD13 ' A' ' 49' ' ' ILE . 89.0 m-70 -120.72 140.17 52.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 111.429 -178.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 48' ' ' HIS . 14.3 mm -124.82 129.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' THR . 37.3 m-85 -118.9 100.94 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.725 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.54 174.36 15.95 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -115.44 43.15 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 110.418 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.73 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -173.42 119.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.14 -26.53 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.133 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.61 51.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.448 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.37 -45.04 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 53' ' ' ASP . 17.7 t -60.65 -33.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.9 -33.25 57.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -71.5 -33.85 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.02 -35.91 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.324 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -43.74 72.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -31.72 61.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.13 -25.67 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' A' ' 26' ' ' ILE . 16.2 mt -97.23 35.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.463 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.287 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.08 -163.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.878 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -166.74 -35.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -117.58 94.29 4.48 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 38.9 p-80 -119.59 160.94 21.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.877 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.15 143.44 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.829 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.98 135.93 48.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -169.86 136.54 1.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 45' ' ' CYS . 38.5 pt -66.38 142.91 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.321 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 47' ' ' PHE . 33.1 m -124.5 167.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.52 154.46 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.192 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.12 -38.01 62.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.36 -28.06 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.7 39.24 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.302 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -95.1 -49.62 5.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.416 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.477 ' HA2' HD11 ' A' ' 26' ' ' ILE . . . 172.32 46.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.29 107.79 11.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.252 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -171.49 149.65 2.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.635 ' N ' HD12 ' A' ' 19' ' ' ILE . 4.3 mp -96.33 72.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.97 175.5 54.95 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.5 m -110.82 90.93 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.5 t60 58.77 28.69 17.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.52 137.95 2.59 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -124.01 -177.42 3.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 110.507 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -62.68 -29.75 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.417 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.685 ' HA ' HD21 ' A' ' 64' ' ' LEU . 4.2 mt -73.74 -42.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.58 -27.48 64.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -72.65 -49.72 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.43 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.33 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -38.24 67.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -32.72 55.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.456 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 t -56.97 136.14 79.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -75.27 115.49 4.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.086 . . . . 0.0 111.935 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.476 ' O ' ' HA2' ' A' ' 51' ' ' GLY . . . 144.29 -24.39 2.04 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.401 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 6.0 t -85.9 111.19 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.986 0.422 . . . . 0.0 111.058 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 50' ' ' TYR . 9.2 t -74.77 -23.55 58.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.569 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -178.17 165.3 1.87 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 49' ' ' ILE . 2.4 tt -139.93 134.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.47 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 20.1 p-10 -157.94 -169.18 2.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -158.93 -162.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.196 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.76 130.0 20.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.447 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.51 -41.3 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -30.8 62.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.7 -22.27 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.748 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.47 ' O ' HG22 ' A' ' 9' ' ' ILE . 16.4 t 65.96 49.82 1.57 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.113 0.482 . . . . 0.0 110.074 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 47' ' ' PHE . 15.5 m -136.92 166.91 22.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.715 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -117.93 140.86 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.536 ' C ' HD13 ' A' ' 49' ' ' ILE . 89.8 m-70 -122.66 125.07 44.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.428 0.632 . . . . 0.0 111.509 -178.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 48' ' ' HIS . 5.7 mm -118.99 129.76 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.482 ' HB3' ' CG2' ' A' ' 36' ' ' THR . 64.4 m-85 -114.71 118.31 33.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 0.0 110.725 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -139.89 179.87 18.47 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.0 34.44 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.233 0.539 . . . . 0.0 110.237 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -170.76 108.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.202 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -49.49 -27.04 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -42.48 86.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.452 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -42.45 26.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.42 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 53' ' ' ASP . 40.2 t -51.26 -52.32 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.412 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -45.87 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -43.22 93.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.261 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.39 83.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -31.74 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 11.3 t -68.51 -33.13 73.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.391 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.92 -31.8 63.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.685 HD21 ' HA ' ' A' ' 26' ' ' ILE . 34.3 mt -83.81 -62.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 62' ' ' SER . 18.1 mt-10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.804 0.335 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 p -93.36 -53.98 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.16 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 2' ' ' SER . 1.6 tpt180 88.65 -25.5 0.08 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.357 0.663 . . . . 0.0 111.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' HG21 ' A' ' 57' ' ' VAL . 96.8 m-85 -120.9 89.77 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.071 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 31.2 p-80 -124.3 172.5 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.81 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -154.51 139.14 16.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.844 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.79 140.31 50.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -160.37 163.63 33.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.331 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -101.27 149.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.82 165.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -99.8 152.26 20.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.358 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.38 -33.22 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.63 -54.21 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.95 35.83 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.371 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -26.18 65.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.426 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.79 42.18 1.87 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 19' ' ' ILE . 16.8 tp -149.28 -73.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.633 0.254 . . . . 0.0 110.495 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.55 -86.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.522 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 17' ' ' LEU . 26.9 mm -122.88 -42.06 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.9 0.381 . . . . 0.0 110.129 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.98 54.52 1.28 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.29 -50.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -137.2 59.75 1.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.67 98.69 0.2 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.706 ' HB1' ' HB3' ' A' ' 27' ' ' GLN . . . -117.97 34.77 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.503 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -53.89 -41.2 67.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' A' ' 64' ' ' LEU . 26.4 mm -70.84 -36.43 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.133 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.706 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.3 tt0 -72.81 -37.53 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.255 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.8 mt-30 -56.78 -48.85 76.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.235 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -63.41 -27.73 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.185 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.32 -43.83 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.404 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -52.41 -30.95 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' GLN . 35.5 t -54.91 129.57 65.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.89 66.06 8.21 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.428 2.086 . . . . 0.0 112.045 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.62 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 29' ' ' ALA . 60.7 t -58.67 100.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -36.37 72.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.33 149.74 30.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.16 136.23 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.057 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.2 151.65 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.632 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 55.1 tp -120.54 149.73 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.023 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.84 122.44 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.635 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -106.99 44.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.202 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.09 -62.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.261 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.404 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 0.2 OUTLIER -99.96 23.11 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.2 t 46.73 36.46 3.81 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.381 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' HB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -95.15 163.86 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.235 -179.176 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.632 ' CZ ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -139.74 129.3 24.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.08 179.316 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' HD13 ' A' ' 49' ' ' ILE . 11.1 m-70 -119.63 127.83 53.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.187 0.518 . . . . 0.0 111.064 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 14.7 mm -120.59 126.66 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.954 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 5' ' ' HIS . 74.3 m-85 -116.88 101.27 8.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.145 0.498 . . . . 0.0 110.629 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.5 169.21 12.79 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -98.38 -20.85 16.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.588 0.233 . . . . 0.0 110.857 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' VAL . 83.4 m-20 -125.71 128.4 47.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 110.302 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.48 -41.72 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.361 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.67 -35.35 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.44 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.06 -37.12 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.456 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 53' ' ' ASP . 48.5 t -64.25 -38.05 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.493 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -73.72 -46.68 44.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -33.38 69.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.81 -27.9 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -31.72 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.253 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -77.43 -42.9 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -56.01 -51.13 68.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.661 ' CD2' HD13 ' A' ' 26' ' ' ILE . 15.0 mt -51.67 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.456 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' OXT' ' CG ' ' A' ' 65' ' ' GLU . 14.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 120.863 0.363 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.532 ' CB ' HG21 ' A' ' 36' ' ' THR . 1.8 p -98.23 168.69 10.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.178 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -130.79 -39.78 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER -119.91 136.87 54.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.454 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 36.1 p-80 -145.75 169.83 17.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.719 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -150.78 130.59 13.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.413 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 111.036 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -146.97 124.39 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.236 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 pt -65.57 144.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.216 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -120.67 139.45 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.86 150.89 46.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.16 -50.41 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.403 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.92 -50.5 70.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.07 60.35 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -105.37 -69.19 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.23 43.49 0.07 OUTLIER Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.3 mm? -53.49 -65.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.381 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.21 68.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.351 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.1 mm -57.35 -33.19 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.314 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.92 50.99 0.22 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.4 p -121.8 32.7 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 65.24 81.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.638 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.07 128.68 2.93 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . -145.74 84.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.614 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' OD1' HG13 ' A' ' 26' ' ' ILE . 4.8 p30 -84.55 -46.13 11.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.401 HG13 ' OD1' ' A' ' 25' ' ' ASN . 2.4 mp -56.14 -67.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 0.0 111.265 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -40.74 -42.5 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.774 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 12.8 mm100 -53.56 -54.45 37.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.47 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -31.98 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.296 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -25.32 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -76.39 -26.29 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.589 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.39 136.28 76.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -77.55 107.51 2.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.501 2.134 . . . . 0.0 112.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.89 -39.6 1.13 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.1 t -58.95 89.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.292 . . . . 0.0 110.35 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.532 HG21 ' CB ' ' A' ' 2' ' ' SER . 6.3 t -53.77 -26.45 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.81 0.338 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 178.11 166.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.363 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.1 tt -134.7 151.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.411 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -144.53 151.73 39.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 41' ' ' ASP . 1.3 tt -119.97 144.69 47.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.06 111.87 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -100.74 -33.69 10.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.096 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -55.38 -40.5 71.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -121.02 20.78 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 42.97 86.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.622 0.248 . . . . 0.0 110.792 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m -159.21 155.23 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.736 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.44 125.3 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.648 ' C ' HD13 ' A' ' 49' ' ' ILE . 45.2 m-70 -118.59 127.5 53.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.103 0.478 . . . . 0.0 111.139 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 48' ' ' HIS . 5.0 mm -120.52 136.25 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.993 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -119.42 120.77 37.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 110.025 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -141.86 146.67 17.9 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -77.23 -35.7 55.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.61 126.57 38.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.191 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.63 -30.87 67.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.337 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.91 -27.02 57.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.98 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.396 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.69 -33.47 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.571 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -70.41 -53.67 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.42 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -60.25 -32.81 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.41 -41.5 69.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -64.34 -36.15 83.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 -24.95 63.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -83.8 -26.83 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.599 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.9 -33.51 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.374 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.842 0.354 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.82 101.15 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.238 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 26.32 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.617 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 2.0 m-85 -146.21 78.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.977 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 29.9 p-80 -119.31 169.58 9.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -150.38 136.38 18.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.253 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 139.37 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -158.99 151.28 21.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 45' ' ' CYS . 5.8 pt -75.99 157.75 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.145 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 47' ' ' PHE . 95.3 t -133.23 141.34 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.41 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.33 146.04 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.285 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.25 -26.03 6.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -67.33 -42.99 82.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.422 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 65' ' ' GLU . 1.5 mp -110.08 35.12 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.19 -66.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.407 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.11 29.04 2.57 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tp -134.02 136.15 43.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.381 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.83 99.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.5 mm -82.68 85.04 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.371 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.41 -120.96 1.7 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 p -104.23 -72.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.321 . . . . 0.0 110.311 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -163.83 145.3 9.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.29 -148.97 16.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . -171.46 173.31 4.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -81.41 -37.87 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.562 ' HA ' HD11 ' A' ' 64' ' ' LEU . 3.6 mt -57.29 -46.49 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.35 -24.93 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.686 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.2 mm100 -77.56 -44.58 28.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.23 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -60.64 -29.84 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.214 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -80.11 -29.36 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.362 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -28.82 67.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 28' ' ' GLN . 48.9 t -57.42 134.37 81.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.366 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.9 99.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.438 2.092 . . . . 0.0 111.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.96 -47.86 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 56.7 t -56.5 109.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.645 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' TYR . 21.9 p -59.53 -51.62 69.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.328 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.17 156.39 19.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.5 tt -119.77 141.15 41.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.605 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -141.84 150.37 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.347 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 41' ' ' ASP . 1.0 OUTLIER -119.85 153.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.156 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.64 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.84 113.13 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.363 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -100.08 30.08 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.758 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.71 -40.5 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.405 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.444 HG23 ' OG1' ' A' ' 46' ' ' THR . 9.9 t -129.01 22.03 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.437 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER 47.72 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.463 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.444 ' OG1' HG23 ' A' ' 44' ' ' THR . 2.3 m -160.84 160.44 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.587 ' CE2' HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -120.7 128.92 53.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.231 179.22 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.59 126.14 50.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.495 0.665 . . . . 0.0 111.285 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 24.2 mm -119.4 130.26 74.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' THR . 93.2 m-85 -116.08 95.76 5.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.105 0.478 . . . . 0.0 110.567 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -111.73 177.1 18.68 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -114.28 -33.49 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.803 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -103.19 148.44 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.169 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.495 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 2.1 mp0 -62.94 -54.65 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.269 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.19 70.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.4 80.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.659 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 53' ' ' ASP . 13.8 t -74.51 -46.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.589 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -62.05 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -49.41 -47.02 48.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -54.69 -60.43 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.497 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -60.35 -28.13 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -42.11 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.566 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.6 ' HB2' HD12 ' A' ' 64' ' ' LEU . 3.1 m-85 -75.38 -38.04 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.6 HD12 ' HB2' ' A' ' 63' ' ' PHE . 6.7 mp -94.49 47.81 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.382 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -110.42 -75.08 0.63 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.41 -45.62 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 109.981 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -122.72 104.8 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 49.4 p-80 -130.94 149.52 52.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -122.47 146.8 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.634 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -126.46 140.98 52.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.996 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -157.54 158.56 35.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 pt -103.67 140.75 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.62 135.28 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.386 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -70.23 170.1 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.03 -27.62 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.9 -43.01 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.371 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.18 -15.7 61.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -75.56 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.796 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.31 70.13 0.06 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.88 -51.15 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.34 24.69 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.63 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.4 mm 45.36 63.4 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.25 100.11 0.2 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 p -65.91 123.89 21.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.832 0.349 . . . . 0.0 110.373 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -160.96 35.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.37 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.01 -179.0 19.38 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.76 130.76 20.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 15.1 m-20 -81.98 -41.94 20.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.455 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.539 ' HA ' HD21 ' A' ' 64' ' ' LEU . 13.4 pt -54.69 -33.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.304 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 26' ' ' ILE . 42.0 mt-30 -73.42 -47.36 42.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -56.69 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.89 -36.5 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -33.28 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -67.33 -36.76 82.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' ' 33' ' ' PRO . 91.3 t -57.67 139.06 81.98 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.2 Cg_endo -77.12 103.71 1.79 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.409 2.073 . . . . 0.0 111.994 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.97 -55.26 0.36 Allowed Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 59.9 t -55.31 102.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.382 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -78.72 -25.5 44.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.04 161.21 6.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.106 0.479 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 tt -128.79 138.23 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.546 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.25 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 111.289 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 24.9 tp -120.77 158.99 26.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.706 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -119.3 128.77 54.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.519 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -93.77 -61.43 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.936 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.18 -62.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.3 m -107.33 96.12 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.275 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.5 t -42.19 102.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.332 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -153.97 162.06 41.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.44 127.24 50.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 37.7 m-70 -119.74 132.9 55.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.7 mm -119.51 132.33 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.94 102.85 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 0.0 111.434 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -122.22 168.17 14.78 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -105.31 -21.65 13.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.7 0.286 . . . . 0.0 110.398 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.504 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.7 t0 -107.22 125.22 50.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.191 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -53.6 -28.58 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.416 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.54 -29.56 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -32.48 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.586 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 53' ' ' ASP . 15.7 t -67.73 -46.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -64.25 -58.41 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -51.13 -46.97 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.62 80.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.473 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.79 -39.91 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -54.17 50.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.26 -59.12 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 26' ' ' ILE . 50.4 mt -49.4 -39.93 34.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.369 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.842 0.353 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.32 142.69 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.216 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -76.89 -40.45 47.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.78 153.94 45.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.527 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 8.7 p-80 -156.98 175.95 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.238 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' HB2' HG11 ' A' ' 57' ' ' VAL . 11.0 tp10 -147.06 134.21 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -125.96 115.47 19.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.464 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 61' ' ' ARG . 30.0 p90 -134.5 138.96 45.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.638 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 pt -74.05 135.53 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.8 142.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.815 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -170.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.52 -41.2 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.244 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -64.93 -45.26 86.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.31 31.37 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 ttm -67.22 -61.67 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.341 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.29 55.99 0.65 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.1 135.17 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.09 -170.37 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.1 mm -116.6 98.36 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.391 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.28 163.39 27.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -112.25 -24.61 9.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.312 . . . . 0.0 110.631 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -132.49 42.81 3.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.381 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.11 -174.89 15.03 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.68 164.14 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 0.0 110.161 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -84.32 -44.4 13.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.656 ' HA ' HD21 ' A' ' 64' ' ' LEU . 21.5 pt -60.63 -36.3 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.982 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' N ' HG13 ' A' ' 26' ' ' ILE . 25.8 tt0 -65.87 -39.59 90.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.695 0.283 . . . . 0.0 110.74 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' VAL . 8.6 mm100 -59.41 -39.1 82.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -69.35 -27.08 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.17 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -84.2 -26.88 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -71.41 -30.93 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 28' ' ' GLN . 20.6 t -63.29 136.62 96.78 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.39 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.53 95.94 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.551 2.167 . . . . 0.0 112.048 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.91 -51.97 0.23 Allowed Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG21 ' O ' ' A' ' 29' ' ' ALA . 17.1 t -54.32 153.82 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.418 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.3 p -115.14 -36.29 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.262 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -167.76 174.14 7.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.5 tt -151.21 150.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.68 170.14 17.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 41' ' ' ASP . 4.9 tt -130.43 143.15 50.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.785 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -119.87 114.08 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.352 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -100.95 -21.82 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.608 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -50.05 -43.38 50.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.827 0.346 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.406 HG23 ' OG1' ' A' ' 46' ' ' THR . 5.1 t -135.93 29.2 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.369 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 50.08 81.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.812 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 41' ' ' ASP . 3.1 m -144.2 156.57 44.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -119.44 133.97 55.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.387 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -119.52 129.23 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.851 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 18.2 mm -119.77 132.52 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.807 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -117.88 96.26 5.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.95 0.405 . . . . 0.0 110.619 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -127.78 138.5 10.48 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -20.1 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.2 m-20 -117.41 120.11 37.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -56.29 -28.17 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.209 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.66 -45.51 86.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.14 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.419 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 53' ' ' ASP . 44.7 t -61.58 -37.72 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.507 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -64.84 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -50.95 -37.97 47.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -61.27 -53.07 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.485 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 1.9 tmm_? -54.44 -43.21 71.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -41.72 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.803 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.13 -33.47 74.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.656 HD21 ' HA ' ' A' ' 26' ' ' ILE . 5.9 mp -95.42 -77.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.596 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' ARG . 19.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 50' ' ' TYR . 6.6 t -74.46 142.68 44.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.34 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -37.62 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -120.0 129.24 54.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.09 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 45.5 p-80 -141.54 151.49 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -128.16 130.82 48.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.929 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -119.46 125.13 48.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -141.62 133.29 27.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.263 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 pt -69.86 137.6 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.76 130.13 68.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.319 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HD3' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.44 163.48 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -33.63 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -66.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' CD1' ' HD3' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -71.34 -20.78 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.7 tpp -47.92 -46.87 32.37 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.326 . . . . 0.0 110.715 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.22 -92.68 2.18 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp 56.86 103.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.06 101.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.607 ' N ' HD12 ' A' ' 19' ' ' ILE . 4.2 mp -80.04 -24.2 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.302 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.78 171.32 27.34 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 p -104.78 -175.99 2.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 51.41 34.38 11.87 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.34 95.23 0.31 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLN . . . -107.2 74.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -31.3 -54.25 0.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.61 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.649 ' HA ' HD21 ' A' ' 64' ' ' LEU . 22.6 mm -53.8 -42.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.065 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' ALA . 9.4 tt0 -63.22 -50.98 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.609 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -46.88 -48.06 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.023 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -59.25 -34.2 71.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.268 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -74.1 -38.36 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.266 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -57.52 -26.69 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG13 ' HD2' ' A' ' 33' ' ' PRO . 80.9 t -54.46 138.49 59.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.265 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.6 Cg_endo -81.18 57.74 6.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.144 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -176.08 40.13 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -141.71 81.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -49.55 -45.56 47.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.563 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.41 165.9 34.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.077 0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 49' ' ' ILE . 12.1 tt -141.72 145.78 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.912 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.01 150.96 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.093 0.473 . . . . 0.0 111.085 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.887 HD23 ' N ' ' A' ' 41' ' ' ASP . 2.6 tt -121.66 156.37 33.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.862 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.887 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -119.59 112.81 19.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.01 0.433 . . . . 0.0 110.506 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -98.81 25.37 6.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.34 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.185 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.762 HG23 ' OG1' ' A' ' 46' ' ' THR . 9.8 t -106.91 23.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.83 78.28 0.07 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.735 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.762 ' OG1' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -136.61 150.44 48.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.467 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.27 122.03 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -118.31 128.73 54.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.173 0.511 . . . . 0.0 110.725 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 38' ' ' ILE . 9.7 mm -119.56 130.17 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.4 ' HB3' ' CB ' ' A' ' 2' ' ' SER . 35.5 m-85 -117.24 120.26 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.151 0.501 . . . . 0.0 110.393 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.75 -153.77 6.75 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -128.4 -41.24 1.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.626 0.251 . . . . 0.0 110.672 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -102.37 127.87 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -57.13 -26.02 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.45 -41.43 63.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -63.62 -54.71 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.739 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -49.09 -40.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.575 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -57.66 -41.92 82.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.77 -42.7 90.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.37 -33.48 76.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.71 -32.21 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 t -64.25 -42.71 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -72.55 -21.12 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.649 HD21 ' HA ' ' A' ' 26' ' ' ILE . 88.4 mt -94.97 32.75 1.61 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.802 0.334 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.42 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.817 0.341 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -148.99 121.73 8.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.216 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.76 -39.83 9.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -119.82 147.34 44.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.283 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 46.2 p-80 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.389 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -120.01 158.36 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.143 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -141.69 136.91 31.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.029 0.443 . . . . 0.0 110.971 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 8' ' ' PHE . 5.6 p90 -160.32 131.41 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.175 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 pt -66.19 138.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.1 t -123.05 151.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -84.04 147.46 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.266 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.4 -35.32 63.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.16 31.09 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -54.0 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.374 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 153.8 95.14 0.11 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 17' ' ' LEU . 9.9 mt -138.11 64.04 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.336 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.47 110.21 6.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 19' ' ' ILE . 21.7 mm -91.76 53.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.244 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.06 175.99 18.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.45 -171.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.688 0.28 . . . . 0.0 110.517 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -81.52 136.8 35.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.357 0.598 . . . . 0.0 111.236 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.97 65.17 0.1 Allowed Glycine 0 CA--C 1.519 0.342 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 27' ' ' GLN . . . -95.38 44.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 0.0 110.951 -179.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -46.74 -54.3 10.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.066 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.424 ' HA ' HD21 ' A' ' 64' ' ' LEU . 13.4 mt -70.3 -36.23 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.542 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.771 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -68.67 -44.47 73.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.614 0.245 . . . . 0.0 110.635 -179.541 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 24' ' ' ALA . 2.4 mt-30 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.218 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -57.82 -42.29 84.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -71.02 -38.59 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.23 -34.75 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.246 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG13 ' HD2' ' A' ' 33' ' ' PRO . 46.5 t -56.18 139.85 71.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.235 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.0 Cg_endo -75.94 118.24 4.96 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.456 2.104 . . . . 0.0 112.086 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.07 -36.42 2.21 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.714 HG21 ' O ' ' A' ' 29' ' ' ALA . 24.3 t -57.19 89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 52' ' ' GLU . 27.7 p -58.89 -40.3 84.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.73 -177.13 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -144.45 141.29 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.86 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.22 172.61 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.074 0.464 . . . . 0.0 110.987 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.33 149.82 30.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.739 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.24 109.15 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.435 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -83.28 -31.74 26.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.659 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.48 -59.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 m -70.76 -26.93 63.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 t 71.9 71.94 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 47' ' ' PHE . 2.0 m -151.25 171.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.659 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.53 ' H ' HG22 ' A' ' 46' ' ' THR . 0.2 OUTLIER -117.82 130.0 56.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.429 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.404 ' O ' HD13 ' A' ' 49' ' ' ILE . 93.0 m-70 -119.77 128.83 54.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 111.288 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 21.4 mm -118.77 133.49 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -115.08 105.56 13.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 110.266 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.2 122.17 3.97 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' H ' HG23 ' A' ' 36' ' ' THR . 0.1 OUTLIER -62.01 -29.36 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.262 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 139.53 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.421 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -68.05 -40.58 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.262 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.68 -31.29 71.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.61 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 58' ' ' LYS . 9.5 p -50.46 -46.06 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.493 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' N ' HG13 ' A' ' 57' ' ' VAL . 1.3 mmmt -59.33 -46.36 88.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.479 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.03 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.401 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -62.27 -39.21 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.439 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -57.1 -49.04 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -37.26 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -59.48 -34.46 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.356 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 26' ' ' ILE . 2.2 mt -90.73 -26.07 19.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.525 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -90.18 104.43 17.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.21 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.75 23.34 8.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.679 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 20.3 m-85 -141.93 72.59 1.38 Allowed 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 41.5 p-80 -119.42 157.06 28.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.844 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.12 146.87 47.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.166 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -121.51 152.84 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.489 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -179.45 150.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.178 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 45' ' ' CYS . 3.2 pt -87.31 151.04 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 0.0 110.775 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 10' ' ' VAL . 17.7 m -123.69 118.02 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.09 143.53 17.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -60.88 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.266 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -53.12 -29.2 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.374 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.45 36.8 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.426 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -93.19 -27.68 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.43 -57.94 0.04 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tp 66.88 69.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.236 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.66 83.94 3.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.537 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.9 mm -73.81 -29.58 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.267 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.13 -50.21 0.89 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 p -70.0 -38.28 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 110.512 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -67.06 138.09 56.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.223 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.17 -95.57 0.25 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.39 141.33 29.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -81.86 -50.94 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.594 ' HA ' HD21 ' A' ' 64' ' ' LEU . 45.9 mt -56.12 -64.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.81 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -47.06 -37.71 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.419 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -68.26 -44.04 76.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.5 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -70.44 -38.7 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.285 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -54.14 -40.67 67.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 33' ' ' PRO . 45.2 t -51.95 139.18 33.32 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 32' ' ' VAL . 47.3 Cg_endo -73.92 134.17 19.39 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.489 2.126 . . . . 0.0 111.966 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.77 1.08 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -57.73 130.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.53 -26.95 15.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.21 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.76 175.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.984 0.421 . . . . 0.0 111.059 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.543 HD13 HG23 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -119.52 135.05 61.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.616 179.318 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.15 136.84 50.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.472 . . . . 0.0 111.125 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 6.8 tp -127.83 150.68 49.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.38 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.44 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 119.57 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 111.089 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.38 -76.36 0.06 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' CYS . 2.2 m-20 -47.87 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.386 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.468 ' O ' HG22 ' A' ' 46' ' ' THR . 0.0 OUTLIER -63.1 81.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.061 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.486 ' O ' HG22 ' A' ' 9' ' ' ILE . 49.0 t -48.82 90.08 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.715 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' THR . 6.3 t -157.92 174.39 15.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.109 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.3 134.97 54.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -119.87 138.69 53.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.085 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 22.2 mm -119.28 137.33 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -116.4 93.62 4.3 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.417 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.91 162.32 17.98 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -102.88 -24.06 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.628 0.252 . . . . 0.0 110.593 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.48 170.11 9.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.867 0.365 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -83.84 -57.3 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.424 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 -29.0 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.1 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.27 -44.76 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.36 -45.16 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -52.25 56.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.437 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -53.28 -40.06 64.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.529 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 4.3 ttp180 -65.13 -32.48 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 t -70.25 -37.27 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.35 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.77 -29.62 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.437 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 26' ' ' ILE . 5.8 mt -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.3 mm-40 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.358 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.825 0.345 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 4' ' ' PHE . 5.6 m 55.55 36.08 26.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.609 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.36 -66.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -119.87 137.34 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -157.66 160.25 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.2 127.46 19.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.151 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 15.9 pt20 -120.14 131.25 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.93 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -147.37 162.18 39.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.305 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.8 pt -90.43 151.68 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 47' ' ' PHE . 74.6 t -123.49 142.53 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.46 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.01 135.71 51.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -46.81 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.35 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -57.46 -52.7 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.36 49.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -94.44 -67.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.414 ' O ' HD22 ' A' ' 17' ' ' LEU . . . 151.96 68.31 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER -128.96 151.24 49.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.373 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.8 62.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.309 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 19' ' ' ILE . 48.1 mm -76.37 72.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.364 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.12 29.41 3.35 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.47 -68.12 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.41 0.148 . . . . 0.0 110.942 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 10.3 p80 -176.73 64.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.478 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.21 134.28 12.26 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . -163.36 27.99 0.09 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 117.061 0.43 . . . . 0.0 111.678 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -86.28 -52.47 5.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 111.625 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -45.9 -61.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -50.73 -44.12 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.723 -178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 79.0 mm-40 -48.32 -50.43 30.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.642 0.258 . . . . 0.0 110.962 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -58.29 -39.46 79.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.8 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -68.58 -30.11 68.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -28.03 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.654 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.28 128.54 78.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.06 62.84 7.58 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.53 2.153 . . . . 0.0 112.065 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -178.35 38.17 0.08 OUTLIER Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 29' ' ' ALA . 14.3 t -130.6 93.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.306 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -57.31 -26.32 60.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.454 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 36' ' ' THR . . . 176.98 161.79 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.875 0.369 . . . . 0.0 110.751 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 38' ' ' ILE . 3.2 tt -132.59 126.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.04 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -129.81 153.6 48.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.116 0.484 . . . . 0.0 111.032 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 20.9 tp -123.76 159.15 30.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.586 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.35 129.13 55.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.914 0.387 . . . . 0.0 110.073 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -91.36 -62.6 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -31.5 4.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.887 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' THR . 99.2 m -131.33 106.38 8.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 37.0 t -49.23 92.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 47' ' ' PHE . 27.8 m -152.92 158.89 42.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.313 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' HD2' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -119.14 130.13 55.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.392 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.506 ' O ' HD13 ' A' ' 49' ' ' ILE . 4.6 m80 -119.16 130.19 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.129 0.49 . . . . 0.0 110.671 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 48' ' ' HIS . 10.2 mm -118.92 135.01 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.64 108.01 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.39 133.38 5.58 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -58.87 -31.5 68.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.674 0.273 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.633 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -109.83 154.8 22.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.587 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 23.1 pt20 -82.68 -38.04 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.983 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 2.8 t0 -56.08 -41.16 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -69.16 -43.75 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.372 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 53' ' ' ASP . 59.4 t -65.2 -33.39 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.48 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -37.07 74.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -79.37 -28.44 41.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.144 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.04 32.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.275 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.9 OUTLIER -63.43 -25.51 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.35 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -69.48 -30.49 68.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 0.0 109.976 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.59 -49.52 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.161 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.35 -65.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.43 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.44 ' HB3' HG21 ' A' ' 36' ' ' THR . 2.4 p . . . . . 0 N--CA 1.463 0.209 0 CA-C-O 120.6 0.238 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.0 -0.68 38.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.269 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -124.05 87.88 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 53.3 p-80 -120.54 168.32 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.919 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.55 141.73 25.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.53 141.74 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.245 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -160.25 134.42 7.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.73 143.28 13.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.251 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.88 122.56 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.25 152.51 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.16 -42.98 99.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' HB3' HD23 ' A' ' 14' ' ' LEU . 7.4 t0 -57.94 -43.82 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 13' ' ' ASP . 0.3 OUTLIER -112.54 46.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.366 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 tmm? . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.449 -179.828 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.8 0.333 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -63.92 -29.54 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.384 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.509 ' HA ' HD21 ' A' ' 64' ' ' LEU . 3.0 mp -73.28 -53.01 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.499 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -62.78 -50.81 69.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -50.21 -51.73 41.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -56.23 -30.48 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -33.67 41.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.75 68.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.524 HG13 ' HD2' ' A' ' 33' ' ' PRO . 57.7 t -51.76 140.08 29.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD2' HG13 ' A' ' 32' ' ' VAL . 47.2 Cg_endo -74.74 107.74 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.514 2.143 . . . . 0.0 112.266 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.84 -46.03 0.82 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.89 122.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.44 HG21 ' HB3' ' A' ' 2' ' ' SER . 15.3 t -95.46 -21.29 18.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.54 162.25 2.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 tt -136.27 141.32 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.95 144.03 48.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.461 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 41' ' ' ASP . 6.2 tt -122.07 138.11 54.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.792 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -120.39 125.11 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -103.56 -43.73 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.12 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.44 60.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.948 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -87.66 -18.21 30.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 t 70.57 49.65 0.4 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m -138.32 159.92 40.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.781 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.44 132.9 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.696 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.488 ' C ' HD13 ' A' ' 49' ' ' ILE . 92.9 m-70 -120.02 134.26 55.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.232 0.539 . . . . 0.0 110.655 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.488 HD13 ' C ' ' A' ' 48' ' ' HIS . 6.0 mm -119.79 133.11 67.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.124 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.96 117.98 30.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.185 0.517 . . . . 0.0 110.152 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.01 -171.08 13.26 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.086 -1.205 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -132.44 31.68 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.689 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -164.76 120.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.478 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.1 -42.54 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.264 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.15 -62.06 2.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.456 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.57 -43.98 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 53' ' ' ASP . 67.9 t -64.15 -43.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.519 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -64.44 -27.86 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -77.15 -49.99 13.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.16 -30.68 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -38.66 56.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -67.7 -28.26 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -83.49 -44.62 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 26' ' ' ILE . 13.3 mt -56.94 -38.68 73.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.493 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.803 0.335 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -82.37 -42.79 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.227 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.87 160.78 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 19.3 p-80 -156.41 171.72 19.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.086 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.11 135.63 25.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.43 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 1.7 pp0? -126.85 124.15 38.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -150.49 148.53 28.83 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.283 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -77.51 149.89 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.63 149.83 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -74.56 150.09 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.32 -42.13 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.443 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.475 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 14' ' ' LEU . 8.0 mt -105.27 40.88 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HA ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 CA--C 1.532 0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 111.474 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -86.04 0.07 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.635 ' HA ' HD21 ' A' ' 64' ' ' LEU . 27.9 mt -74.98 -47.45 36.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.36 -29.1 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.04 -178.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 91.1 mm-40 -75.91 -58.4 3.3 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -49.66 -28.76 6.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.276 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -32.56 51.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.537 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -27.4 67.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -51.06 128.03 28.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.369 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.82 96.25 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.411 2.074 . . . . 0.0 112.044 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . 159.28 -33.44 0.46 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 29' ' ' ALA . 58.4 t -56.02 130.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.033 0.444 . . . . 0.0 110.401 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 m -93.8 -37.62 11.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.06 166.67 4.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.227 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.1 tt -135.2 145.13 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.088 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.44 151.53 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 110.802 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 39.6 tp -119.93 159.88 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.491 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.64 111.8 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.1 0.476 . . . . 0.0 110.862 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.41 43.62 1.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.897 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.74 -50.84 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.441 HG23 ' OG1' ' A' ' 46' ' ' THR . 13.8 t -132.27 27.88 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 0.0 110.378 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.45 80.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.744 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.455 HG22 ' CD2' ' A' ' 48' ' ' HIS . 16.1 m -134.74 150.88 50.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.986 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.69 121.52 40.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.455 ' CD2' HG22 ' A' ' 46' ' ' THR . 6.8 m170 -118.04 131.24 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 20.8 mm -118.97 138.86 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.72 116.28 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.535 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.92 131.18 3.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.26 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.267 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.6 m-20 -83.71 122.65 28.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.252 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -26.41 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.04 -51.13 63.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -61.96 -39.05 90.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 53' ' ' ASP . 57.5 t -59.85 -43.9 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -57.12 -55.12 38.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.44 -29.73 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.93 76.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.526 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -37.09 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 t -61.09 -33.48 73.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -75.63 -44.06 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 26' ' ' ILE . 88.5 mt -72.89 -17.97 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.804 0.335 . . . . 0.0 110.307 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -114.52 -22.21 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -120.33 124.21 45.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 110.434 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 15.2 p-80 -142.88 178.78 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.484 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -160.31 143.31 13.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.33 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 4.7 pt20 -121.25 137.0 54.88 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.465 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 44.5 p90 -157.99 131.73 7.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.9 pt -67.78 179.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.471 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 m -152.44 149.23 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.274 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -72.28 143.03 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -67.64 -42.09 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.33 -27.11 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.06 28.18 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.661 ' HB1' ' HG3' ' A' ' 28' ' ' GLN . . . . . . . . 0 N--CA 1.465 0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.141 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -84.87 -68.19 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.508 ' HA ' HD21 ' A' ' 64' ' ' LEU . 4.1 mt -65.7 -32.53 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.188 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.64 -55.48 9.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 111.111 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.663 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.1 mt-30 -52.19 -46.92 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . . . -56.77 -40.13 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.337 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -71.64 -43.16 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -25.75 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.629 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 28' ' ' GLN . 24.2 t -59.75 133.36 89.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.328 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -81.28 117.09 3.1 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 111.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.77 -39.5 1.56 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.76 134.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -90.48 -48.6 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.04 167.0 16.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 tt -132.74 149.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -160.07 166.21 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tp -131.81 149.11 52.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.961 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.65 143.97 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.81 -37.13 8.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.461 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -60.37 3.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.01 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -25.75 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.64 77.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.683 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -157.16 -168.29 2.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.706 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.82 131.22 56.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.51 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.432 ' O ' HD13 ' A' ' 49' ' ' ILE . 15.3 m-70 -118.03 124.21 47.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.518 0.675 . . . . 0.0 111.469 -178.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.432 HD13 ' O ' ' A' ' 48' ' ' HIS . 14.0 mm -119.79 129.97 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.141 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' O ' ' CB ' ' A' ' 36' ' ' THR . 6.9 m-85 -118.81 93.12 3.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.885 0.374 . . . . 0.0 110.308 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.9 159.23 14.81 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -98.57 30.51 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.993 0.425 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.34 126.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.092 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.487 ' HA ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -55.31 -24.77 30.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.2 51.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.716 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.46 -42.02 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.705 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 58' ' ' LYS . 9.8 p -65.33 -46.38 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.598 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.493 ' N ' HG13 ' A' ' 57' ' ' VAL . 17.9 mmtm -59.91 -46.02 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.633 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -55.64 -39.96 71.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -32.65 73.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.603 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 1.1 tmm_? -67.42 -47.15 71.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.524 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 t -54.72 -35.37 63.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.448 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -83.33 -30.23 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.419 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.508 HD21 ' HA ' ' A' ' 26' ' ' ILE . 41.1 mt -89.55 51.22 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.416 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p . . . . . 0 CA--C 1.523 -0.084 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.31 -40.88 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.18 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 123.46 41.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.72 0.295 . . . . 0.0 110.314 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 22.8 p-80 -141.9 171.1 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.066 0.46 . . . . 0.0 111.154 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -150.06 140.39 22.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.798 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -120.22 141.89 49.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 111.03 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -165.81 145.38 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 45' ' ' CYS . 34.6 pt -84.62 145.73 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -132.92 136.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.226 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.26 -179.58 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -50.63 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.259 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.61 -38.96 84.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.225 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 14' ' ' LEU . 4.5 mm? -67.15 -31.1 71.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.184 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.28 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.869 0.366 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -85.39 -57.1 3.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.047 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 38' ' ' ILE . 27.0 mt -71.67 -43.23 70.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.856 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.0 -33.76 69.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.432 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 48.5 mm-40 -70.62 -49.53 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.537 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -52.14 -42.32 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.442 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -32.08 72.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.416 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -52.29 131.08 42.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.15 110.23 2.98 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.339 2.026 . . . . 0.0 111.969 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.06 -38.23 1.12 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.29 124.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.653 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.8 p -87.82 -37.76 16.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.176 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -174.57 148.07 1.14 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.506 HG13 HD13 ' A' ' 49' ' ' ILE . 12.0 tt -129.58 153.07 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.279 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -160.95 169.42 22.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.927 0.394 . . . . 0.0 111.077 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' A' ' 47' ' ' PHE . 19.3 tp -119.16 155.31 31.85 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 1.3 m-20 -118.61 139.57 51.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 110.558 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.08 -53.4 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.21 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.74 -35.4 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 m -97.95 -23.02 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.67 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER 56.71 63.95 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' N ' ' A' ' 47' ' ' PHE . 41.4 m -147.42 167.46 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -116.24 123.55 48.01 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' HD13 ' A' ' 49' ' ' ILE . 16.0 m-70 -117.51 132.52 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.321 0.581 . . . . 0.0 110.654 -178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.0 mm -120.34 131.86 71.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' THR . 28.1 m-85 -115.31 119.11 35.22 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.41 -174.77 15.94 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.48 29.83 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.55 114.01 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.122 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.411 ' HA ' ' HG2' ' A' ' 58' ' ' LYS . 9.3 m-20 -80.21 -29.44 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.469 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.37 -31.77 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -79.17 -46.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -57.06 -33.96 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -38.92 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.245 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.26 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.398 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -45.91 83.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.53 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -54.71 -39.3 68.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.52 -42.38 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.449 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.15 -42.5 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.406 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p . . . . . 0 N--CA 1.461 0.105 0 CA-C-O 120.934 0.397 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -86.08 -21.79 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.124 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.1 145.63 45.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -138.21 166.38 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.612 0.72 . . . . 0.0 112.106 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -144.05 106.34 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.543 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 6.2 pt20 -118.54 125.76 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 111.648 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -147.39 162.03 39.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.38 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pt -93.37 136.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.072 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.3 139.08 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -65.99 139.29 58.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -51.32 -35.66 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.99 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.12 36.72 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.2 ttm . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 -179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 CA--C 1.524 -0.047 0 CA-C-O 120.7 0.286 . . . . 0.0 110.35 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -84.59 -35.58 22.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.663 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mt -47.87 -63.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -61.74 -45.16 95.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 16.9 mm100 -53.22 -39.21 63.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.05 -28.08 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.107 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -35.55 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.9 -29.98 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 32' ' ' VAL . 27.8 t -50.75 136.48 26.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.495 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -79.33 129.64 8.71 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.504 2.136 . . . . 0.0 111.928 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.27 -27.96 6.2 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.88 144.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' TYR . 2.8 m -96.96 -42.95 7.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.849 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.93 174.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.35 135.82 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.259 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.65 147.48 41.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 23.4 tp -120.51 156.0 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.88 133.6 55.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.404 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -116.79 47.63 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.44 -48.89 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.483 HG23 ' OG1' ' A' ' 46' ' ' THR . 7.5 t -132.33 29.99 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.285 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 m 50.21 80.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' HG23 ' A' ' 44' ' ' THR . 4.1 m -136.51 150.69 48.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.15 0.5 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.94 120.9 38.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.459 ' O ' HD13 ' A' ' 49' ' ' ILE . 16.6 m-70 -118.46 144.21 46.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.122 0.487 . . . . 0.0 111.049 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.465 HD11 HD13 ' A' ' 64' ' ' LEU . 15.1 mm -119.13 143.14 31.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' THR . 5.3 m-30 -115.2 103.69 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' HG22 ' A' ' 57' ' ' VAL . . . -136.57 174.42 21.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.34 29.14 3.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.785 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -155.7 117.59 4.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.295 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -55.11 -28.35 51.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -71.09 -55.9 7.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.79 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 53' ' ' ASP . 57.7 t -50.32 -31.67 8.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.451 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -79.27 -40.89 29.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.147 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -43.85 95.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.154 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.18 78.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.176 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.11 -32.06 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -52.57 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.25 -36.66 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.309 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.465 HD13 HD11 ' A' ' 49' ' ' ILE . 19.2 mt -62.55 -76.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.398 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.231 0.121 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -93.92 -29.16 15.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -126.43 107.13 9.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 110.964 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 17.2 p-80 -131.95 167.63 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.889 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -144.38 146.83 32.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 110.781 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 7.7 pt20 -126.81 118.6 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.079 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -149.94 152.15 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.486 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.43 ' O ' HG13 ' A' ' 10' ' ' VAL . 11.6 pt -81.45 -174.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' HA ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -155.04 72.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.544 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 43.9 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.055 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -108.14 -28.9 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.215 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.28 -52.05 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.321 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.13 27.61 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.535 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.621 ' HA ' HG23 ' A' ' 10' ' ' VAL . 9.4 tpt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.289 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.629 ' HB1' HD12 ' A' ' 26' ' ' ILE . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.795 0.331 . . . . 0.0 110.262 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -78.08 -24.47 47.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.629 HD12 ' HB1' ' A' ' 24' ' ' ALA . 1.5 mp -56.12 -46.74 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.542 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -65.6 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.625 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.55 -47.68 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.464 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.85 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.199 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -72.59 -36.37 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.158 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -34.28 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.308 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.13 122.71 24.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -76.64 100.59 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.327 2.018 . . . . 0.0 112.184 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.51 -46.73 0.23 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.414 ' HA ' ' CA ' ' A' ' 51' ' ' GLY . 11.7 m -55.44 172.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.11 -41.27 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.76 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.38 170.63 4.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.307 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 tt -138.14 144.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -160.14 163.66 33.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.861 0.362 . . . . 0.0 110.718 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 46' ' ' THR . 33.8 tp -119.91 149.23 42.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.742 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.624 ' HB3' HG22 ' A' ' 44' ' ' THR . 48.1 m-20 -122.17 144.97 48.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 110.926 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -103.38 -39.35 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.192 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.98 -57.21 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.226 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.653 HG23 HG22 ' A' ' 46' ' ' THR . 9.6 t -81.32 -20.25 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.455 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.3 m 56.26 84.89 0.08 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 HG23 ' A' ' 44' ' ' THR . 10.7 t -172.49 -169.95 0.65 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -117.87 135.58 54.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.405 ' CD2' HG23 ' A' ' 46' ' ' THR . 19.2 m-70 -118.25 128.26 54.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.587 0.708 . . . . 0.0 111.019 -178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 60' ' ' ALA . 13.2 mm -120.9 136.21 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.319 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -119.63 134.54 55.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.674 ' HA3' HG22 ' A' ' 57' ' ' VAL . . . -167.05 141.83 7.17 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -77.64 -19.19 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.591 0.234 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -116.28 114.73 24.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.752 0.31 . . . . 0.0 110.358 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -50.18 -50.36 49.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -52.59 -40.55 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.52 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.48 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 53' ' ' ASP . 21.6 t -65.81 -36.1 76.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.362 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -66.93 -38.65 86.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' A' ' 49' ' ' ILE . . . -56.28 -59.47 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -54.77 -25.59 28.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.37 -34.62 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -88.53 -29.05 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 26' ' ' ILE . 7.5 mt -88.22 54.07 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.348 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.383 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.438 ' HB3' HG21 ' A' ' 36' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.461 0.107 0 CA-C-O 120.933 0.396 . . . . 0.0 110.393 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -29.78 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.51 148.35 46.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 0.0 110.387 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 20.3 p-80 -154.99 179.24 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.309 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -148.44 139.76 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -136.64 113.1 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.392 179.409 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.498 ' CE1' ' HG3' ' A' ' 61' ' ' ARG . 21.9 p90 -136.29 135.03 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.4 pt -59.3 141.5 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.274 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.525 HG21 ' CD1' ' A' ' 47' ' ' PHE . 91.3 t -126.47 137.65 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.78 140.06 51.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -56.56 -35.78 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.45 -31.26 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -107.74 36.59 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.372 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 tmm? . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.352 -179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.377 0.132 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -85.54 -66.17 0.93 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.524 HG22 HD21 ' A' ' 64' ' ' LEU . 26.1 pt -53.84 -42.66 53.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 26' ' ' ILE . 2.0 mm-40 -52.56 -46.27 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.668 0.27 . . . . 0.0 111.008 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.7 mt-30 -58.32 -48.05 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.43 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.747 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -56.6 -30.36 63.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.337 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -78.01 -39.03 43.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -61.95 -28.74 69.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.658 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 28' ' ' GLN . 99.1 t -61.13 128.3 89.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.74 76.27 4.38 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.398 2.066 . . . . 0.0 112.144 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.452 ' HA3' ' HB1' ' A' ' 56' ' ' ALA . . . -171.86 -46.35 0.04 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 29' ' ' ALA . 12.5 t -58.56 83.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.843 HG22 ' O ' ' A' ' 50' ' ' TYR . 9.8 t -51.13 -25.43 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 178.06 144.56 0.11 Allowed 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.31 141.15 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.71 161.14 39.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 47' ' ' PHE . 18.4 tp -121.48 153.14 38.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 2.1 m-20 -119.37 161.7 20.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.696 0.284 . . . . 0.0 110.386 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -130.51 -49.39 1.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.567 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.58 -33.29 60.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.572 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 t -109.96 -21.38 12.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 81.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 47' ' ' PHE . 32.7 m -157.52 168.44 27.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.97 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -116.21 127.7 54.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.414 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.448 ' C ' HD13 ' A' ' 49' ' ' ILE . 95.0 m-70 -117.67 129.77 55.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.53 0.681 . . . . 0.0 110.99 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.448 HD13 ' C ' ' A' ' 48' ' ' HIS . 4.6 mm -119.47 133.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.611 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.843 ' O ' HG22 ' A' ' 36' ' ' THR . 15.2 m-85 -117.9 112.18 19.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.0 110.376 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -140.46 176.12 21.6 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -107.08 -24.82 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -113.95 131.19 56.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.375 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -55.74 -36.61 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.26 -31.81 73.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB1' ' HA3' ' A' ' 34' ' ' GLY . . . -74.35 -44.87 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 6' ' ' GLU . 38.9 t -64.85 -32.51 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -52.51 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.2 -33.3 52.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.258 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.26 -57.41 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 8' ' ' PHE . 4.0 ttp180 -55.48 -28.27 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.244 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -46.72 86.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.127 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.432 ' HB2' HD12 ' A' ' 64' ' ' LEU . 2.9 m-85 -76.13 -24.15 54.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.416 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.747 ' CD1' ' HB2' ' A' ' 29' ' ' ALA . 6.2 mp -107.06 61.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.365 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.522 -0.119 0 CA-C-O 120.879 0.371 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -81.85 -16.15 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.569 ' HB3' HG21 ' A' ' 57' ' ' VAL . 3.4 m-85 -121.03 132.09 54.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.854 0.359 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CD2' ' NE2' ' A' ' 7' ' ' GLN . 53.7 p-80 -152.19 155.92 38.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.447 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -129.53 150.32 50.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.686 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.444 ' NE2' ' CD2' ' A' ' 5' ' ' HIS . 11.2 mp0 -129.86 149.44 51.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.058 0.456 . . . . 0.0 111.317 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -175.74 132.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.907 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 45' ' ' CYS . 39.7 pt -59.21 170.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.564 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' A' ' 47' ' ' PHE . 3.0 m -148.28 105.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.377 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -54.61 151.36 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.166 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -30.97 71.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.53 31.21 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.192 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.323 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.84 -39.63 81.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.272 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.471 ' HA ' HD21 ' A' ' 64' ' ' LEU . 2.5 mt -55.65 -30.92 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.165 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -82.88 -45.18 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -58.91 -50.84 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.08 95.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.44 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -64.08 -34.85 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.368 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -67.74 -25.99 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.315 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG13 ' HD2' ' A' ' 33' ' ' PRO . 57.9 t -55.38 139.68 66.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HD2' HG13 ' A' ' 32' ' ' VAL . 49.4 Cg_endo -78.91 87.62 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.543 2.162 . . . . 0.0 112.138 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.08 -51.82 0.15 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.93 115.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' TYR . 16.7 p -78.57 -33.87 47.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.014 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.72 145.29 12.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.611 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.509 HD12 HD12 ' A' ' 49' ' ' ILE . 1.3 tt -120.73 129.59 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.116 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.53 -162.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.524 HD23 ' H ' ' A' ' 40' ' ' LEU . 1.1 pt? -152.83 -167.59 2.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.835 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.91 132.07 54.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.14 55.33 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.052 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -143.24 -68.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.414 HG23 ' OG1' ' A' ' 46' ' ' THR . 7.7 t -107.79 27.85 8.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.453 ' O ' HG22 ' A' ' 9' ' ' ILE . 46.1 t 46.48 85.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.935 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 3.7 m -147.0 154.87 41.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -115.32 135.75 53.82 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.534 ' O ' HD13 ' A' ' 49' ' ' ILE . 89.0 m-70 -120.72 140.17 52.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 111.429 -178.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 48' ' ' HIS . 14.3 mm -124.82 129.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' THR . 37.3 m-85 -118.9 100.94 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.725 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.54 174.36 15.95 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -115.44 43.15 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 110.418 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.73 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -173.42 119.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.14 -26.53 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.133 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.61 51.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.448 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.37 -45.04 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 53' ' ' ASP . 17.7 t -60.65 -33.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.9 -33.25 57.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -71.5 -33.85 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.02 -35.91 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.324 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -43.74 72.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -31.72 61.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.13 -25.67 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' A' ' 26' ' ' ILE . 16.2 mt -97.23 35.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.463 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.287 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -166.74 -35.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -117.58 94.29 4.48 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 38.9 p-80 -119.59 160.94 21.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.877 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.15 143.44 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.829 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.98 135.93 48.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -169.86 136.54 1.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 45' ' ' CYS . 38.5 pt -66.38 142.91 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.321 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 47' ' ' PHE . 33.1 m -124.5 167.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.52 154.46 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.192 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.12 -38.01 62.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.36 -28.06 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.7 39.24 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.302 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.7 tmt? . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.416 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.757 0.313 . . . . 0.0 110.507 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -62.68 -29.75 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.417 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.685 ' HA ' HD21 ' A' ' 64' ' ' LEU . 4.2 mt -73.74 -42.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.58 -27.48 64.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -72.65 -49.72 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.43 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.33 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -38.24 67.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -32.72 55.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.456 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 t -56.97 136.14 79.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -75.27 115.49 4.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.086 . . . . 0.0 111.935 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.476 ' O ' ' HA2' ' A' ' 51' ' ' GLY . . . 144.29 -24.39 2.04 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.401 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 6.0 t -85.9 111.19 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.986 0.422 . . . . 0.0 111.058 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 50' ' ' TYR . 9.2 t -74.77 -23.55 58.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.569 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -178.17 165.3 1.87 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 49' ' ' ILE . 2.4 tt -139.93 134.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.47 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 20.1 p-10 -157.94 -169.18 2.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -158.93 -162.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.196 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.76 130.0 20.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.447 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.51 -41.3 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -30.8 62.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.7 -22.27 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.748 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.47 ' O ' HG22 ' A' ' 9' ' ' ILE . 16.4 t 65.96 49.82 1.57 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.113 0.482 . . . . 0.0 110.074 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 47' ' ' PHE . 15.5 m -136.92 166.91 22.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.715 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -117.93 140.86 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.536 ' C ' HD13 ' A' ' 49' ' ' ILE . 89.8 m-70 -122.66 125.07 44.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.428 0.632 . . . . 0.0 111.509 -178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 48' ' ' HIS . 5.7 mm -118.99 129.76 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.482 ' HB3' ' CG2' ' A' ' 36' ' ' THR . 64.4 m-85 -114.71 118.31 33.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 0.0 110.725 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -139.89 179.87 18.47 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.0 34.44 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.233 0.539 . . . . 0.0 110.237 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -170.76 108.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.202 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -49.49 -27.04 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -42.48 86.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.452 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -42.45 26.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.42 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 53' ' ' ASP . 40.2 t -51.26 -52.32 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.412 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -45.87 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -43.22 93.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.261 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.39 83.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -31.74 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 11.3 t -68.51 -33.13 73.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.391 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.92 -31.8 63.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.685 HD21 ' HA ' ' A' ' 26' ' ' ILE . 34.3 mt -83.81 -62.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 62' ' ' SER . 18.1 mt-10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 p . . . . . 0 CA--C 1.523 -0.094 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 2' ' ' SER . 1.6 tpt180 88.65 -25.5 0.08 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.357 0.663 . . . . 0.0 111.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' HG21 ' A' ' 57' ' ' VAL . 96.8 m-85 -120.9 89.77 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.071 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.478 ' CD2' ' NE2' ' A' ' 7' ' ' GLN . 31.2 p-80 -124.3 172.5 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.81 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -154.51 139.14 16.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.844 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.478 ' NE2' ' CD2' ' A' ' 5' ' ' HIS . 12.5 mp0 -119.79 140.31 50.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -160.37 163.63 33.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.331 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -101.27 149.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.82 165.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -99.8 152.26 20.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.358 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.38 -33.22 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.63 -54.21 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.95 35.83 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.371 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.426 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.706 ' HB1' ' HB3' ' A' ' 27' ' ' GLN . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 0.0 110.503 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -53.89 -41.2 67.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' A' ' 64' ' ' LEU . 26.4 mm -70.84 -36.43 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.133 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.706 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.3 tt0 -72.81 -37.53 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.255 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.8 mt-30 -56.78 -48.85 76.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.235 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -63.41 -27.73 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.185 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.32 -43.83 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.404 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -52.41 -30.95 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' GLN . 35.5 t -54.91 129.57 65.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.89 66.06 8.21 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.428 2.086 . . . . 0.0 112.045 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.62 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 29' ' ' ALA . 60.7 t -58.67 100.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -36.37 72.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.33 149.74 30.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.16 136.23 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.057 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.2 151.65 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.632 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 55.1 tp -120.54 149.73 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.023 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.84 122.44 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.635 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -106.99 44.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.202 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.09 -62.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.261 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.404 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 0.2 OUTLIER -99.96 23.11 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.2 t 46.73 36.46 3.81 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.381 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' HB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -95.15 163.86 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.235 -179.176 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.632 ' CZ ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -139.74 129.3 24.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.08 179.316 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' HD13 ' A' ' 49' ' ' ILE . 11.1 m-70 -119.63 127.83 53.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.187 0.518 . . . . 0.0 111.064 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 14.7 mm -120.59 126.66 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.954 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 5' ' ' HIS . 74.3 m-85 -116.88 101.27 8.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.145 0.498 . . . . 0.0 110.629 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.5 169.21 12.79 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -98.38 -20.85 16.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.588 0.233 . . . . 0.0 110.857 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' VAL . 83.4 m-20 -125.71 128.4 47.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 110.302 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.48 -41.72 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.361 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.67 -35.35 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.44 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.06 -37.12 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.456 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 53' ' ' ASP . 48.5 t -64.25 -38.05 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.493 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -73.72 -46.68 44.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -33.38 69.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.81 -27.9 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -31.72 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.253 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -77.43 -42.9 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -56.01 -51.13 68.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.661 ' CD2' HD13 ' A' ' 26' ' ' ILE . 15.0 mt -51.67 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.456 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' OXT' ' CG ' ' A' ' 65' ' ' GLU . 14.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.532 ' CB ' HG21 ' A' ' 36' ' ' THR . 1.8 p . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.746 0.308 . . . . 0.0 110.178 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -130.79 -39.78 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER -119.91 136.87 54.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 36.1 p-80 -145.75 169.83 17.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.719 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -150.78 130.59 13.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.413 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 111.036 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -146.97 124.39 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.236 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 pt -65.57 144.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.216 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -120.67 139.45 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.86 150.89 46.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.16 -50.41 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.403 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.92 -50.5 70.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.07 60.35 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 N--CA 1.461 0.104 0 CA-C-O 120.765 0.317 . . . . 0.0 110.614 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.401 ' OD1' HG13 ' A' ' 26' ' ' ILE . 4.8 p30 -84.55 -46.13 11.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.401 HG13 ' OD1' ' A' ' 25' ' ' ASN . 2.4 mp -56.14 -67.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 0.0 111.265 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -40.74 -42.5 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.774 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 13.4 mm-40 -53.56 -54.45 37.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.47 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -31.98 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.296 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -25.32 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -76.39 -26.29 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.589 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.39 136.28 76.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -77.55 107.51 2.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.501 2.134 . . . . 0.0 112.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.89 -39.6 1.13 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.1 t -58.95 89.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.292 . . . . 0.0 110.35 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.532 HG21 ' CB ' ' A' ' 2' ' ' SER . 6.3 t -53.77 -26.45 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.81 0.338 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 178.11 166.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.363 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.1 tt -134.7 151.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.411 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -144.53 151.73 39.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 41' ' ' ASP . 1.3 tt -119.97 144.69 47.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.06 111.87 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -100.74 -33.69 10.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.096 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -55.38 -40.5 71.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -121.02 20.78 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 42.97 86.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.622 0.248 . . . . 0.0 110.792 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m -159.21 155.23 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.736 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.44 125.3 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.648 ' C ' HD13 ' A' ' 49' ' ' ILE . 45.2 m-70 -118.59 127.5 53.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.103 0.478 . . . . 0.0 111.139 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 48' ' ' HIS . 5.0 mm -120.52 136.25 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.993 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -119.42 120.77 37.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 110.025 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -141.86 146.67 17.9 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -77.23 -35.7 55.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.61 126.57 38.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.191 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.63 -30.87 67.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.337 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.91 -27.02 57.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.98 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.396 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.69 -33.47 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.571 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -70.41 -53.67 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.42 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -60.25 -32.81 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.41 -41.5 69.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -64.34 -36.15 83.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 -24.95 63.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -83.8 -26.83 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.599 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.9 -33.51 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.374 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.081 0 N-CA-C 110.238 -0.282 . . . . 0.0 110.238 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 26.32 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.617 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 2.0 m-85 -146.21 78.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.977 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 29.9 p-80 -119.31 169.58 9.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -150.38 136.38 18.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.253 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 139.37 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -158.99 151.28 21.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 45' ' ' CYS . 5.8 pt -75.99 157.75 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.145 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 47' ' ' PHE . 95.3 t -133.23 141.34 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.41 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.33 146.04 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.285 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.25 -26.03 6.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -67.33 -42.99 82.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.422 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 65' ' ' GLU . 1.5 mp -110.08 35.12 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.407 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -81.41 -37.87 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.562 ' HA ' HD11 ' A' ' 64' ' ' LEU . 3.6 mt -57.29 -46.49 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.35 -24.93 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.686 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.2 mm100 -77.56 -44.58 28.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.23 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -60.64 -29.84 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.214 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -80.11 -29.36 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.362 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -28.82 67.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 28' ' ' GLN . 48.9 t -57.42 134.37 81.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.366 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.9 99.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.438 2.092 . . . . 0.0 111.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.96 -47.86 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 56.7 t -56.5 109.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.645 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' TYR . 21.9 p -59.53 -51.62 69.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.328 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.17 156.39 19.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.5 tt -119.77 141.15 41.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.605 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -141.84 150.37 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.347 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 41' ' ' ASP . 1.0 OUTLIER -119.85 153.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.156 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.64 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.84 113.13 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.363 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -100.08 30.08 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.758 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.71 -40.5 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.405 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.444 HG23 ' OG1' ' A' ' 46' ' ' THR . 9.9 t -129.01 22.03 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.437 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER 47.72 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.463 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.444 ' OG1' HG23 ' A' ' 44' ' ' THR . 2.3 m -160.84 160.44 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.587 ' CE2' HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -120.7 128.92 53.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.231 179.22 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.59 126.14 50.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.495 0.665 . . . . 0.0 111.285 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 24.2 mm -119.4 130.26 74.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' THR . 93.2 m-85 -116.08 95.76 5.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.105 0.478 . . . . 0.0 110.567 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -111.73 177.1 18.68 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -114.28 -33.49 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.803 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -103.19 148.44 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.169 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.495 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 2.1 mp0 -62.94 -54.65 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.269 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.19 70.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.4 80.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.659 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 53' ' ' ASP . 13.8 t -74.51 -46.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.589 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -62.05 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -49.41 -47.02 48.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -54.69 -60.43 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.497 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -60.35 -28.13 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -42.11 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.566 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.6 ' HB2' HD12 ' A' ' 64' ' ' LEU . 3.1 m-85 -75.38 -38.04 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.6 HD12 ' HB2' ' A' ' 63' ' ' PHE . 6.7 mp -94.49 47.81 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.382 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.517 0.199 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.41 -45.62 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 109.981 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -122.72 104.8 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 49.4 p-80 -130.94 149.52 52.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -122.47 146.8 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.634 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -126.46 140.98 52.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.996 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -157.54 158.56 35.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 pt -103.67 140.75 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.62 135.28 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.386 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -70.23 170.1 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.03 -27.62 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.9 -43.01 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.371 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.18 -15.7 61.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.796 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.767 0.318 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 15.1 m-20 -81.98 -41.94 20.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.455 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.539 ' HA ' HD21 ' A' ' 64' ' ' LEU . 13.4 pt -54.69 -33.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.304 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 26' ' ' ILE . 42.0 mt-30 -73.42 -47.36 42.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -56.69 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.89 -36.5 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -33.28 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -67.33 -36.76 82.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' ' 33' ' ' PRO . 91.3 t -57.67 139.06 81.98 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.2 Cg_endo -77.12 103.71 1.79 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.409 2.073 . . . . 0.0 111.994 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.97 -55.26 0.36 Allowed Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 59.9 t -55.31 102.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.382 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -78.72 -25.5 44.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.04 161.21 6.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.106 0.479 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 tt -128.79 138.23 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.546 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.25 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 111.289 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 24.9 tp -120.77 158.99 26.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.706 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -119.3 128.77 54.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.519 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -93.77 -61.43 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.936 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.18 -62.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.3 m -107.33 96.12 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.275 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.5 t -42.19 102.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.332 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -153.97 162.06 41.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.44 127.24 50.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 37.7 m-70 -119.74 132.9 55.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.7 mm -119.51 132.33 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.94 102.85 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 0.0 111.434 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -122.22 168.17 14.78 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -105.31 -21.65 13.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.7 0.286 . . . . 0.0 110.398 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.504 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.7 t0 -107.22 125.22 50.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.191 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -53.6 -28.58 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.416 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.54 -29.56 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -32.48 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.586 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 53' ' ' ASP . 15.7 t -67.73 -46.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -64.25 -58.41 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -51.13 -46.97 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.62 80.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.473 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.79 -39.91 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -54.17 50.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.26 -59.12 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 26' ' ' ILE . 50.4 mt -49.4 -39.93 34.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.369 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.732 0.301 . . . . 0.0 110.216 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -76.89 -40.45 47.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.78 153.94 45.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.527 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 8.7 p-80 -156.98 175.95 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.238 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.452 ' HB2' HG11 ' A' ' 57' ' ' VAL . 11.0 tp10 -147.06 134.21 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -125.96 115.47 19.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.464 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 61' ' ' ARG . 30.0 p90 -134.5 138.96 45.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.638 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 pt -74.05 135.53 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.8 142.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.815 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -170.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.52 -41.2 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.244 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -64.93 -45.26 86.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.31 31.37 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.341 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.769 0.319 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -84.32 -44.4 13.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.656 ' HA ' HD21 ' A' ' 64' ' ' LEU . 21.5 pt -60.63 -36.3 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.982 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.429 ' N ' HG13 ' A' ' 26' ' ' ILE . 25.8 tt0 -65.87 -39.59 90.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.695 0.283 . . . . 0.0 110.74 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' VAL . 8.6 mm100 -59.41 -39.1 82.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -69.35 -27.08 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.17 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -84.2 -26.88 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -71.41 -30.93 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 28' ' ' GLN . 20.6 t -63.29 136.62 96.78 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.39 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.53 95.94 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.551 2.167 . . . . 0.0 112.048 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.91 -51.97 0.23 Allowed Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.494 HG21 ' O ' ' A' ' 29' ' ' ALA . 17.1 t -54.32 153.82 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.418 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.3 p -115.14 -36.29 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.262 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -167.76 174.14 7.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.5 tt -151.21 150.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.68 170.14 17.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 41' ' ' ASP . 4.9 tt -130.43 143.15 50.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.785 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -119.87 114.08 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.352 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -100.95 -21.82 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.608 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -50.05 -43.38 50.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.827 0.346 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.406 HG23 ' OG1' ' A' ' 46' ' ' THR . 5.1 t -135.93 29.2 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.369 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 50.08 81.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.812 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 41' ' ' ASP . 3.1 m -144.2 156.57 44.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -119.44 133.97 55.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.387 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -119.52 129.23 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.851 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 18.2 mm -119.77 132.52 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.807 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -117.88 96.26 5.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.95 0.405 . . . . 0.0 110.619 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -127.78 138.5 10.48 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -20.1 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.2 m-20 -117.41 120.11 37.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -56.29 -28.17 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.209 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.66 -45.51 86.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.14 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.419 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 53' ' ' ASP . 44.7 t -61.58 -37.72 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.507 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -64.84 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -50.95 -37.97 47.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -61.27 -53.07 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.485 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 1.9 tmm_? -54.44 -43.21 71.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -41.72 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.803 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.13 -33.47 74.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.656 HD21 ' HA ' ' A' ' 26' ' ' ILE . 5.9 mp -95.42 -77.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.596 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' ARG . 19.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 50' ' ' TYR . 6.6 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.794 0.33 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -37.62 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -120.0 129.24 54.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.09 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 45.5 p-80 -141.54 151.49 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -128.16 130.82 48.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.929 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -119.46 125.13 48.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -141.62 133.29 27.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.263 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 pt -69.86 137.6 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.76 130.13 68.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.319 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HD3' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.44 163.48 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -33.63 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -66.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.422 ' CD1' ' HD3' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -71.34 -20.78 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.7 tpp . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.326 . . . . 0.0 110.715 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLN . . . . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -31.3 -54.25 0.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.61 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.649 ' HA ' HD21 ' A' ' 64' ' ' LEU . 22.6 mm -53.8 -42.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.065 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' ALA . 9.4 tt0 -63.22 -50.98 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.609 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -46.88 -48.06 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.023 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -59.25 -34.2 71.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.268 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -74.1 -38.36 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.266 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -57.52 -26.69 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG13 ' HD2' ' A' ' 33' ' ' PRO . 80.9 t -54.46 138.49 59.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.265 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.6 Cg_endo -81.18 57.74 6.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.144 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -176.08 40.13 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -141.71 81.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -49.55 -45.56 47.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.563 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.41 165.9 34.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.077 0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 49' ' ' ILE . 12.1 tt -141.72 145.78 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.912 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.01 150.96 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.093 0.473 . . . . 0.0 111.085 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.887 HD23 ' N ' ' A' ' 41' ' ' ASP . 2.6 tt -121.66 156.37 33.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.862 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.887 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -119.59 112.81 19.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.01 0.433 . . . . 0.0 110.506 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -98.81 25.37 6.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.34 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.185 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.762 HG23 ' OG1' ' A' ' 46' ' ' THR . 9.8 t -106.91 23.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.83 78.28 0.07 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.735 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.762 ' OG1' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -136.61 150.44 48.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.467 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.27 122.03 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -118.31 128.73 54.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.173 0.511 . . . . 0.0 110.725 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 38' ' ' ILE . 9.7 mm -119.56 130.17 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.4 ' HB3' ' CB ' ' A' ' 2' ' ' SER . 35.5 m-85 -117.24 120.26 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.151 0.501 . . . . 0.0 110.393 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.75 -153.77 6.75 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -128.4 -41.24 1.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.626 0.251 . . . . 0.0 110.672 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -102.37 127.87 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -57.13 -26.02 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.45 -41.43 63.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.436 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -63.62 -54.71 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.739 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -49.09 -40.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.575 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -57.66 -41.92 82.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.77 -42.7 90.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.37 -33.48 76.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.71 -32.21 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 t -64.25 -42.71 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -72.55 -21.12 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.649 HD21 ' HA ' ' A' ' 26' ' ' ILE . 88.4 mt -94.97 32.75 1.61 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.802 0.334 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.42 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.836 0.351 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.76 -39.83 9.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -119.82 147.34 44.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.283 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 46.2 p-80 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.389 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -120.01 158.36 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.143 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -141.69 136.91 31.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.029 0.443 . . . . 0.0 110.971 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.421 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 5.6 p90 -160.32 131.41 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.175 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 pt -66.19 138.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.1 t -123.05 151.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -84.04 147.46 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.266 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.4 -35.32 63.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.16 31.09 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.374 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 27' ' ' GLN . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -46.74 -54.3 10.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.066 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.424 ' HA ' HD21 ' A' ' 64' ' ' LEU . 13.4 mt -70.3 -36.23 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.542 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.771 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -68.67 -44.47 73.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.614 0.245 . . . . 0.0 110.635 -179.541 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 24' ' ' ALA . 2.4 mt-30 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.218 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -57.82 -42.29 84.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -71.02 -38.59 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.23 -34.75 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.246 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.464 HG13 ' HD2' ' A' ' 33' ' ' PRO . 46.5 t -56.18 139.85 71.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.235 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.0 Cg_endo -75.94 118.24 4.96 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.456 2.104 . . . . 0.0 112.086 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.07 -36.42 2.21 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.714 HG21 ' O ' ' A' ' 29' ' ' ALA . 24.3 t -57.19 89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 52' ' ' GLU . 27.7 p -58.89 -40.3 84.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.73 -177.13 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -144.45 141.29 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.86 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.22 172.61 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.074 0.464 . . . . 0.0 110.987 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.33 149.82 30.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.739 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.24 109.15 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.435 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -83.28 -31.74 26.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.659 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.48 -59.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 m -70.76 -26.93 63.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 t 71.9 71.94 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 47' ' ' PHE . 2.0 m -151.25 171.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.659 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.53 ' H ' HG22 ' A' ' 46' ' ' THR . 0.2 OUTLIER -117.82 130.0 56.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.429 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.404 ' O ' HD13 ' A' ' 49' ' ' ILE . 93.0 m-70 -119.77 128.83 54.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 111.288 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 21.4 mm -118.77 133.49 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -115.08 105.56 13.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 110.266 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.2 122.17 3.97 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' H ' HG23 ' A' ' 36' ' ' THR . 0.1 OUTLIER -62.01 -29.36 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.262 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 139.53 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.421 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -68.05 -40.58 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.262 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.68 -31.29 71.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.61 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 58' ' ' LYS . 9.5 p -50.46 -46.06 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.493 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' N ' HG13 ' A' ' 57' ' ' VAL . 1.3 mmmt -59.33 -46.36 88.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.479 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.03 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.401 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -62.27 -39.21 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.439 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -57.1 -49.04 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -37.26 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -59.48 -34.46 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.356 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 26' ' ' ILE . 2.2 mt -90.73 -26.07 19.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.525 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p . . . . . 0 CA--C 1.521 -0.163 0 CA-C-O 120.776 0.322 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.75 23.34 8.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.679 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.498 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 20.3 m-85 -141.93 72.59 1.38 Allowed 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 41.5 p-80 -119.42 157.06 28.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.844 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.12 146.87 47.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.166 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -121.51 152.84 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.489 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -179.45 150.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.178 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 45' ' ' CYS . 3.2 pt -87.31 151.04 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 0.0 110.775 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 10' ' ' VAL . 17.7 m -123.69 118.02 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.09 143.53 17.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -60.88 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.266 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -53.12 -29.2 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.374 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.45 36.8 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.426 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 tmt? . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -81.86 -50.94 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.594 ' HA ' HD21 ' A' ' 64' ' ' LEU . 45.9 mt -56.12 -64.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.81 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -47.06 -37.71 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.419 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -68.26 -44.04 76.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.5 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -70.44 -38.7 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.285 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -54.14 -40.67 67.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 33' ' ' PRO . 45.2 t -51.95 139.18 33.32 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 32' ' ' VAL . 47.3 Cg_endo -73.92 134.17 19.39 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.489 2.126 . . . . 0.0 111.966 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.77 1.08 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -57.73 130.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.53 -26.95 15.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.21 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.76 175.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.984 0.421 . . . . 0.0 111.059 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.543 HD13 HG23 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -119.52 135.05 61.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.616 179.318 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.15 136.84 50.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.472 . . . . 0.0 111.125 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 6.8 tp -127.83 150.68 49.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.38 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.44 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 119.57 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 111.089 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.38 -76.36 0.06 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' CYS . 2.2 m-20 -47.87 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.386 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.468 ' O ' HG22 ' A' ' 46' ' ' THR . 0.0 OUTLIER -63.1 81.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.061 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.486 ' O ' HG22 ' A' ' 9' ' ' ILE . 49.0 t -48.82 90.08 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.715 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' THR . 6.3 t -157.92 174.39 15.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.109 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.3 134.97 54.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -119.87 138.69 53.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.085 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 22.2 mm -119.28 137.33 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -116.4 93.62 4.3 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.417 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.91 162.32 17.98 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -102.88 -24.06 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.628 0.252 . . . . 0.0 110.593 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.48 170.11 9.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.867 0.365 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -83.84 -57.3 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.424 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 -29.0 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.1 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.27 -44.76 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.36 -45.16 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -52.25 56.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.437 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -53.28 -40.06 64.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.529 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 4.3 ttp180 -65.13 -32.48 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 t -70.25 -37.27 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.35 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.77 -29.62 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.437 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 26' ' ' ILE . 5.8 mt -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.3 mm-40 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.358 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 4' ' ' PHE . 5.6 m . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.801 0.334 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.36 -66.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -119.87 137.34 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -157.66 160.25 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.2 127.46 19.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.151 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 15.9 pt20 -120.14 131.25 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.93 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -147.37 162.18 39.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.305 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.8 pt -90.43 151.68 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 47' ' ' PHE . 74.6 t -123.49 142.53 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.46 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.01 135.71 51.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -46.81 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.35 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -57.46 -52.7 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.36 49.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.516 ' HB1' HE21 ' A' ' 27' ' ' GLN . . . . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -86.28 -52.47 5.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 111.625 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -45.9 -61.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.516 HE21 ' HB1' ' A' ' 24' ' ' ALA . 22.7 pt20 -50.73 -44.12 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.723 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 79.0 mm-40 -48.32 -50.43 30.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.642 0.258 . . . . 0.0 110.962 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -58.29 -39.46 79.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.8 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -68.58 -30.11 68.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -28.03 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.654 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.28 128.54 78.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.06 62.84 7.58 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.53 2.153 . . . . 0.0 112.065 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -178.35 38.17 0.08 OUTLIER Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 29' ' ' ALA . 14.3 t -130.6 93.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.306 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -57.31 -26.32 60.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.454 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 36' ' ' THR . . . 176.98 161.79 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.875 0.369 . . . . 0.0 110.751 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.425 ' O ' HG23 ' A' ' 38' ' ' ILE . 3.2 tt -132.59 126.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.04 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -129.81 153.6 48.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.116 0.484 . . . . 0.0 111.032 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 20.9 tp -123.76 159.15 30.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.586 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.35 129.13 55.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.914 0.387 . . . . 0.0 110.073 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -91.36 -62.6 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -31.5 4.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.887 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' THR . 99.2 m -131.33 106.38 8.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 37.0 t -49.23 92.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 47' ' ' PHE . 27.8 m -152.92 158.89 42.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.313 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.566 ' HD2' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -119.14 130.13 55.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.392 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.506 ' O ' HD13 ' A' ' 49' ' ' ILE . 11.4 m-70 -119.16 130.19 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.129 0.49 . . . . 0.0 110.671 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 48' ' ' HIS . 10.2 mm -118.92 135.01 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.64 108.01 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.39 133.38 5.58 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -58.87 -31.5 68.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.674 0.273 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.633 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -109.83 154.8 22.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.587 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 23.1 pt20 -82.68 -38.04 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.983 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 2.8 t0 -56.08 -41.16 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.426 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -69.16 -43.75 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.372 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 53' ' ' ASP . 59.4 t -65.2 -33.39 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.48 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -37.07 74.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -79.37 -28.44 41.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.144 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.04 32.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.275 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.9 OUTLIER -63.43 -25.51 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.35 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -69.48 -30.49 68.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 0.0 109.976 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.59 -49.52 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.161 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.35 -65.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.43 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.44 ' HB3' HG21 ' A' ' 36' ' ' THR . 2.4 p -122.34 78.43 1.5 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.905 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.0 -0.68 38.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.269 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -124.05 87.88 2.81 Favored 'General case' 0 CA--C 1.519 -0.225 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.439 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 53.3 p-80 -120.54 168.32 11.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.919 -178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -148.55 141.73 25.03 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.53 141.74 48.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.245 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -160.25 134.42 7.32 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.619 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -73.73 143.28 13.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.251 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 4.6 m -120.88 122.56 68.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.25 152.51 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.421 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -62.16 -42.98 99.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.249 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' HB3' HD23 ' A' ' 14' ' ' LEU . 7.4 t0 -57.94 -43.82 86.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.296 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 HD23 ' HB3' ' A' ' 13' ' ' ASP . 0.3 OUTLIER -112.54 46.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.366 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.5 tmm? -86.31 -44.26 12.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.449 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.84 53.14 0.01 OUTLIER Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 tp -110.62 88.78 2.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.247 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.22 73.38 1.44 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.416 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.6 mm -58.35 105.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.212 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 168.74 -31.89 0.18 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.9 p 59.18 -164.71 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 110.399 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 44.1 m80 64.37 48.73 2.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.406 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.31 89.2 0.89 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -114.65 151.27 33.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 110.339 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -63.92 -29.54 70.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.384 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' HA ' HD21 ' A' ' 64' ' ' LEU . 3.0 mp -73.28 -53.01 19.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.499 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -62.78 -50.81 69.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.427 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -50.21 -51.73 41.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.587 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -56.23 -30.48 62.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.415 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.62 -33.67 41.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.334 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.11 -26.75 68.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.506 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.524 HG13 ' HD2' ' A' ' 33' ' ' PRO . 57.7 t -51.76 140.08 29.44 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.524 ' HD2' HG13 ' A' ' 32' ' ' VAL . 47.2 Cg_endo -74.74 107.74 2.54 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.514 2.143 . . . . 0.0 112.266 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 144.84 -46.03 0.82 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.1 t -55.89 122.75 5.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.777 0.323 . . . . 0.0 110.567 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.44 HG21 ' HB3' ' A' ' 2' ' ' SER . 15.3 t -95.46 -21.29 18.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.729 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.54 162.25 2.26 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.333 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.0 tt -136.27 141.32 41.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.569 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -133.95 144.03 48.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.461 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.792 HD23 ' N ' ' A' ' 41' ' ' ASP . 6.2 tt -122.07 138.11 54.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.312 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.792 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -120.39 125.11 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.412 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -103.56 -43.73 5.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.12 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.14 -49.44 60.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.948 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.1 m -87.66 -18.21 30.08 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 t 70.57 49.65 0.4 Allowed 'General case' 0 C--N 1.334 -0.105 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m -138.32 159.92 40.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.034 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.781 ' CZ ' HD12 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.44 132.9 55.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.696 179.741 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.488 ' C ' HD13 ' A' ' 49' ' ' ILE . 92.9 m-70 -120.02 134.26 55.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.232 0.539 . . . . 0.0 110.655 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.488 HD13 ' C ' ' A' ' 48' ' ' HIS . 6.0 mm -119.79 133.11 67.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.124 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -117.96 117.98 30.73 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.185 0.517 . . . . 0.0 110.152 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.01 -171.08 13.26 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 110.086 -1.205 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -132.44 31.68 4.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.847 0.356 . . . . 0.0 110.252 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.689 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.3 OUTLIER -164.76 120.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.478 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -52.1 -42.54 63.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.264 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.15 -62.06 2.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.456 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -53.57 -43.98 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.468 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.689 HG23 ' O ' ' A' ' 53' ' ' ASP . 67.9 t -64.15 -43.22 97.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.519 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -64.44 -27.86 69.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.603 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? -77.15 -49.99 13.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.625 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.52 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -58.16 -30.68 66.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.506 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.12 -38.66 56.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.458 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.4 t -67.7 -28.26 67.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.519 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -83.49 -44.62 14.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 26' ' ' ILE . 13.3 mt -56.94 -38.68 73.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.25 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.452 -0.785 . . . . 0.0 110.493 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -132.58 160.17 37.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.393 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 23.2 mtt180 -82.37 -42.79 18.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.227 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -131.87 160.78 34.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.325 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 19.3 p-80 -156.41 171.72 19.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.086 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.11 135.63 25.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.43 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.439 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 1.7 pp0? -126.85 124.15 38.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.794 0.331 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -150.49 148.53 28.83 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.283 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.1 pt -77.51 149.89 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.63 149.83 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.176 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 mmm180 -74.56 150.09 39.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.395 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -64.32 -42.13 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.443 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.3 -34.98 73.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.475 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 14' ' ' LEU . 8.0 mt -105.27 40.88 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.295 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -28.88 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.379 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.29 50.95 0.41 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.55 53.76 2.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.767 0.318 . . . . 0.0 110.235 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.25 67.46 1.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.412 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.6 mm -84.33 82.26 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.263 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -123.49 -64.51 0.2 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.741 -0.943 . . . . 0.0 110.741 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.2 p -151.35 -59.52 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.924 0.393 . . . . 0.0 110.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -172.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.701 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.424 ' O ' ' HB2' ' A' ' 27' ' ' GLN . . . 169.1 60.28 0.03 OUTLIER Glycine 0 CA--C 1.52 0.372 0 N-CA-C 110.012 -1.235 . . . . 0.0 110.012 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.506 ' HA ' ' HG2' ' A' ' 28' ' ' GLN . . . -86.12 -1.12 57.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.483 0.182 . . . . 0.0 111.474 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.23 -86.04 0.07 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.635 ' HA ' HD21 ' A' ' 64' ' ' LEU . 27.9 mt -74.98 -47.45 36.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -177.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 23' ' ' GLY . 1.3 mt-30 -50.36 -29.1 9.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.619 0.247 . . . . 0.0 111.04 -178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.506 ' HG2' ' HA ' ' A' ' 24' ' ' ALA . 91.1 mm-40 -75.91 -58.4 3.3 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.459 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -49.66 -28.76 6.29 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.276 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.01 -32.56 51.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.537 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.47 -27.4 67.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.603 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 68.3 t -51.06 128.03 28.64 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.369 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -74.82 96.25 1.0 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.411 2.074 . . . . 0.0 112.044 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . 159.28 -33.44 0.46 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.502 -1.039 . . . . 0.0 110.502 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 29' ' ' ALA . 58.4 t -56.02 130.01 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.033 0.444 . . . . 0.0 110.401 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 m -93.8 -37.62 11.67 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.353 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.06 166.67 4.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.227 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 15.1 tt -135.2 145.13 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.088 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -145.44 151.53 38.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.085 0.469 . . . . 0.0 110.802 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.439 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 39.6 tp -119.93 159.88 23.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.491 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.439 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -120.64 111.8 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.1 0.476 . . . . 0.0 110.862 -179.625 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -96.41 43.62 1.07 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.897 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.74 -50.84 1.25 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.411 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.441 HG23 ' OG1' ' A' ' 46' ' ' THR . 13.8 t -132.27 27.88 4.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.03 0.443 . . . . 0.0 110.378 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.45 80.88 0.06 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.744 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.455 HG22 ' CD2' ' A' ' 48' ' ' HIS . 16.1 m -134.74 150.88 50.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.986 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.69 121.52 40.33 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.455 ' CD2' HG22 ' A' ' 46' ' ' THR . 6.8 m170 -118.04 131.24 56.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.685 -178.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 20.8 mm -118.97 138.86 48.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -116.72 116.28 27.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.932 0.396 . . . . 0.0 110.535 -178.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.92 131.18 3.53 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.146 -1.182 . . . . 0.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.26 -50.91 72.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.766 0.317 . . . . 0.0 110.267 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.6 m-20 -83.71 122.65 28.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.252 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.08 -26.41 67.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.466 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -65.04 -51.13 63.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.582 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -61.96 -39.05 90.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.474 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 53' ' ' ASP . 57.5 t -59.85 -43.9 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.489 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -57.12 -55.12 38.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.554 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.44 -29.73 61.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.555 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.93 76.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.526 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -37.09 70.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.508 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.9 t -61.09 -33.48 73.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -75.63 -44.06 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.489 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.635 HD21 ' HA ' ' A' ' 26' ' ' ILE . 88.5 mt -72.89 -17.97 61.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.005 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.487 -0.768 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.814 0.34 . . . . 0.0 110.236 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.57 170.28 8.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.307 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.9 mtm180 -114.52 -22.21 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.829 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -120.33 124.21 45.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 110.434 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 15.2 p-80 -142.88 178.78 7.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.484 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -160.31 143.31 13.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.33 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 4.7 pt20 -121.25 137.0 54.88 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-O 121.005 0.431 . . . . 0.0 110.842 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.465 ' CE1' ' HG2' ' A' ' 61' ' ' ARG . 44.5 p90 -157.99 131.73 7.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.961 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.9 pt -67.78 179.03 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.471 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 10.5 m -152.44 149.23 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.274 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -72.28 143.03 48.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.339 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -67.64 -42.09 82.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -71.33 -27.11 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.06 28.18 8.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.45 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.45 -60.14 2.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.423 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -147.71 87.21 0.16 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.733 -0.947 . . . . 0.0 110.733 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 177.59 103.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.831 0.348 . . . . 0.0 110.28 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 22' ' ' HIS . . . -64.7 154.46 36.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.45 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mm -98.62 -60.62 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.494 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.23 -92.86 0.25 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.93 -27.05 30.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.656 0.265 . . . . 0.0 110.563 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.484 ' O ' ' HB1' ' A' ' 18' ' ' ALA . 0.5 OUTLIER -71.24 118.79 14.48 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.168 179.758 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.534 ' O ' ' HB3' ' A' ' 24' ' ' ALA . . . -165.81 168.92 39.89 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.661 ' HB1' ' HG3' ' A' ' 28' ' ' GLN . . . 74.18 60.87 0.08 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.141 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -84.87 -68.19 0.74 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.233 -179.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.508 ' HA ' HD21 ' A' ' 64' ' ' LEU . 4.1 mt -65.7 -32.53 58.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.188 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -69.64 -55.48 9.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 111.111 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.663 ' O ' HG23 ' A' ' 32' ' ' VAL . 84.1 mt-30 -52.19 -46.92 65.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.906 -179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' HB2' ' HG ' ' A' ' 64' ' ' LEU . . . -56.77 -40.13 75.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.836 0.351 . . . . 0.0 110.337 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 11.4 mtp180 -71.64 -43.16 66.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.444 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.79 -25.75 42.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.629 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.663 HG23 ' O ' ' A' ' 28' ' ' GLN . 24.2 t -59.75 133.36 89.23 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.328 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -81.28 117.09 3.1 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.552 2.168 . . . . 0.0 111.966 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.77 -39.5 1.56 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 62.1 t -53.76 134.26 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.828 0.347 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.426 ' CB ' ' O ' ' A' ' 50' ' ' TYR . 0.2 OUTLIER -90.48 -48.6 7.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.365 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.04 167.0 16.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.535 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 tt -132.74 149.15 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.283 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -160.07 166.21 30.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.889 0.376 . . . . 0.0 110.696 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.1 tp -131.81 149.11 52.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.961 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.65 143.97 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.842 0.353 . . . . 0.0 110.539 -179.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -101.81 -37.13 8.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.461 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.26 -60.37 3.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.01 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -25.75 38.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.053 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 64.64 77.48 0.31 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.683 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.9 t -157.16 -168.29 2.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.706 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.82 131.22 56.08 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 178.51 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.432 ' O ' HD13 ' A' ' 49' ' ' ILE . 15.3 m-70 -118.03 124.21 47.57 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.518 0.675 . . . . 0.0 111.469 -178.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.432 HD13 ' O ' ' A' ' 48' ' ' HIS . 14.0 mm -119.79 129.97 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.141 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' O ' ' CB ' ' A' ' 36' ' ' THR . 6.9 m-85 -118.81 93.12 3.99 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.885 0.374 . . . . 0.0 110.308 -179.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -106.9 159.23 14.81 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.39 -1.084 . . . . 0.0 110.39 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -98.57 30.51 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.993 0.425 . . . . 0.0 110.092 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.34 126.91 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.092 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.487 ' HA ' HG12 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -55.31 -24.77 30.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.634 -179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -33.2 51.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.716 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.46 -42.02 23.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.705 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG13 ' N ' ' A' ' 58' ' ' LYS . 9.8 p -65.33 -46.38 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.598 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.493 ' N ' HG13 ' A' ' 57' ' ' VAL . 17.9 mmtm -59.91 -46.02 90.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.633 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -55.64 -39.96 71.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.594 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.64 -32.65 73.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.603 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' HG2' ' CE1' ' A' ' 8' ' ' PHE . 1.1 tmm_? -67.42 -47.15 71.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.524 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.9 t -54.72 -35.37 63.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.448 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -83.33 -30.23 27.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.419 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.508 HD21 ' HA ' ' A' ' 26' ' ' ILE . 41.1 mt -89.55 51.22 2.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.416 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.789 0.328 . . . . 0.0 110.126 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -134.05 170.2 16.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.842 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.31 -40.88 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.18 -179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -122.05 123.46 41.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.72 0.295 . . . . 0.0 110.314 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.529 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 22.8 p-80 -141.9 171.1 14.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.066 0.46 . . . . 0.0 111.154 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.1 tt0 -150.06 140.39 22.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.798 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -120.22 141.89 49.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.888 0.375 . . . . 0.0 111.03 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -165.81 145.38 6.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.315 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.67 HG22 ' O ' ' A' ' 45' ' ' CYS . 34.6 pt -84.62 145.73 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.493 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.7 t -132.92 136.45 55.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.226 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -73.26 -179.58 3.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.51 -50.63 17.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.259 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.61 -38.96 84.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.225 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' HA ' HD13 ' A' ' 14' ' ' LEU . 4.5 mm? -67.15 -31.1 71.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.184 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.65 -53.53 45.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.28 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -131.26 113.74 1.42 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.81 126.17 20.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.852 0.358 . . . . 0.0 110.547 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.485 ' HB1' ' ND1' ' A' ' 22' ' ' HIS . . . -169.16 -175.67 2.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.245 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.411 ' O ' ' NE2' ' A' ' 22' ' ' HIS . 30.1 mm -117.96 89.68 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.137 179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.42 32.71 1.2 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 p 48.41 49.13 18.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.767 0.318 . . . . 0.0 110.562 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.485 ' ND1' ' HB1' ' A' ' 18' ' ' ALA . 60.7 m170 -61.97 -57.27 12.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.709 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.55 76.77 0.19 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.521 -1.032 . . . . 0.0 110.521 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 28' ' ' GLN . . . -144.83 38.44 1.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.869 0.366 . . . . 0.0 110.239 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-20 -85.39 -57.1 3.2 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.047 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.424 HG23 HD13 ' A' ' 38' ' ' ILE . 27.0 mt -71.67 -43.23 70.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.856 -178.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -58.0 -33.76 69.28 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.675 -0.239 . . . . 0.0 111.432 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 24' ' ' ALA . 48.5 mm-40 -70.62 -49.53 46.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.695 0.283 . . . . 0.0 110.537 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -52.14 -42.32 63.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.442 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.46 -32.08 72.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.344 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -36.04 82.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.416 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 84.8 t -52.29 131.08 42.77 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.287 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -77.15 110.23 2.98 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.339 2.026 . . . . 0.0 111.969 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.06 -38.23 1.12 Allowed Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.29 124.79 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 121.092 0.472 . . . . 0.0 110.653 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' TYR . 9.8 p -87.82 -37.76 16.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.176 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -174.57 148.07 1.14 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.506 HG13 HD13 ' A' ' 49' ' ' ILE . 12.0 tt -129.58 153.07 38.23 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.279 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -160.95 169.42 22.63 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.927 0.394 . . . . 0.0 111.077 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.596 HD13 ' CE2' ' A' ' 47' ' ' PHE . 19.3 tp -119.16 155.31 31.85 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.412 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 1.3 m-20 -118.61 139.57 51.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.898 0.38 . . . . 0.0 110.558 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -104.08 -53.4 2.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.21 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -60.74 -35.4 76.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.36 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 m -97.95 -23.02 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.463 179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.67 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.1 OUTLIER 56.71 63.95 1.8 Allowed 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.507 HG22 ' N ' ' A' ' 47' ' ' PHE . 41.4 m -147.42 167.46 24.33 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.024 -179.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.596 ' CE2' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -116.24 123.55 48.01 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 179.549 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.419 ' O ' HD13 ' A' ' 49' ' ' ILE . 16.0 m-70 -117.51 132.52 56.53 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.321 0.581 . . . . 0.0 110.654 -178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.529 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.0 mm -120.34 131.86 71.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 36' ' ' THR . 28.1 m-85 -115.31 119.11 35.22 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.41 -174.77 15.94 Favored Glycine 0 CA--C 1.519 0.328 0 N-CA-C 110.305 -1.118 . . . . 0.0 110.305 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -132.48 29.83 4.2 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -160.55 114.01 2.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.122 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.411 ' HA ' ' HG2' ' A' ' 58' ' ' LYS . 9.3 m-20 -80.21 -29.44 38.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.469 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.37 -31.77 37.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.447 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 57.5 t -79.17 -46.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.411 ' HG2' ' HA ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -57.06 -33.96 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -38.92 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.245 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.567 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.26 -31.63 72.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.398 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 -45.91 83.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.53 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.9 t -54.71 -39.3 68.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.555 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -72.52 -42.38 64.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.449 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.1 mt -68.15 -42.5 79.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.406 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 120.81 0.338 . . . . 0.0 110.095 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p -77.87 125.48 29.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.591 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -86.08 -21.79 27.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.124 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -119.1 145.63 45.77 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 69.2 m80 -138.21 166.38 24.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.612 0.72 . . . . 0.0 112.106 -178.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 48' ' ' HIS . 0.2 OUTLIER -144.05 106.34 4.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.543 178.81 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.453 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 6.2 pt20 -118.54 125.76 50.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.088 0.47 . . . . 0.0 111.648 -178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -147.39 162.03 39.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.38 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.5 pt -93.37 136.56 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.072 179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 95.4 t -120.3 139.08 48.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.662 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ttt-85 -65.99 139.29 58.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -51.32 -35.66 39.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.54 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -63.99 -32.69 74.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.371 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.12 36.72 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.462 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.2 ttm -74.99 -37.39 61.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.454 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.5 64.64 0.04 OUTLIER Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 25.3 mt -90.76 -69.43 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.806 0.336 . . . . 0.0 110.171 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 17' ' ' LEU . . . 66.66 -69.82 0.12 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.649 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 17' ' ' LEU . 11.3 mm 47.92 62.41 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.742 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.06 83.54 1.54 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.734 -0.947 . . . . 0.0 110.734 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 m -157.66 115.01 3.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.337 . . . . 0.0 110.52 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 38.1 m80 -84.42 74.92 10.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.221 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.09 77.62 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.409 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . -108.23 153.68 22.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.7 0.286 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -84.59 -35.58 22.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.663 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.4 mt -47.87 -63.09 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -61.74 -45.16 95.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 16.9 mm100 -53.22 -39.21 63.57 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.29 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.05 -28.08 66.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.107 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.39 -35.55 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.365 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -62.9 -29.98 71.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.409 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 32' ' ' VAL . 27.8 t -50.75 136.48 26.01 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.495 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -79.33 129.64 8.71 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.504 2.136 . . . . 0.0 111.928 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.27 -27.96 6.2 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.529 -1.028 . . . . 0.0 110.529 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.88 144.47 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' TYR . 2.8 m -96.96 -42.95 7.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.849 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.93 174.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.35 135.82 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.259 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -139.65 147.48 41.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.499 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.45 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 23.4 tp -120.51 156.0 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.017 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.45 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.88 133.6 55.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.404 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -116.79 47.63 1.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -125.44 -48.89 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.28 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.483 HG23 ' OG1' ' A' ' 46' ' ' THR . 7.5 t -132.33 29.99 4.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.285 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 m 50.21 80.17 0.08 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.598 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.483 ' OG1' HG23 ' A' ' 44' ' ' THR . 4.1 m -136.51 150.69 48.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.15 0.5 . . . . 0.0 110.979 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -118.94 120.9 38.63 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 178.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.459 ' O ' HD13 ' A' ' 49' ' ' ILE . 16.6 m-70 -118.46 144.21 46.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.122 0.487 . . . . 0.0 111.049 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.465 HD11 HD13 ' A' ' 64' ' ' LEU . 15.1 mm -119.13 143.14 31.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 178.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 36' ' ' THR . 5.3 m-30 -115.2 103.69 11.1 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' HA3' HG22 ' A' ' 57' ' ' VAL . . . -136.57 174.42 21.56 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -134.34 29.14 3.67 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.785 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -155.7 117.59 4.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.295 179.724 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -55.11 -28.35 51.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.348 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -71.09 -55.9 7.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.33 -49.79 68.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.785 HG23 ' O ' ' A' ' 53' ' ' ASP . 57.7 t -50.32 -31.67 8.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.451 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -79.27 -40.89 29.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.147 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -43.85 95.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.154 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.46 -48.18 78.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.176 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.8 ttt180 -66.11 -32.06 73.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.363 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.84 -52.57 59.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.288 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -70.25 -36.66 74.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.309 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.465 HD13 HD11 ' A' ' 49' ' ' ILE . 19.2 mt -62.55 -76.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.253 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.398 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 120.842 0.353 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -53.11 176.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.107 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 ttt-85 -93.92 -29.16 15.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.837 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -126.43 107.13 9.99 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.909 0.385 . . . . 0.0 110.964 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 17.2 p-80 -131.95 167.63 19.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.889 179.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -144.38 146.83 32.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.837 0.351 . . . . 0.0 110.781 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 7.7 pt20 -126.81 118.6 24.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.079 179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 21.7 p90 -149.94 152.15 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.486 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.43 ' O ' HG13 ' A' ' 10' ' ' VAL . 11.6 pt -81.45 -174.7 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.621 HG23 ' HA ' ' A' ' 15' ' ' MET . 0.2 OUTLIER -155.04 72.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.544 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 mpp_? 43.9 -168.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.055 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -108.14 -28.9 9.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.215 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -76.28 -52.05 10.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.321 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mp -97.13 27.61 4.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.535 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.621 ' HA ' HG23 ' A' ' 10' ' ' VAL . 9.4 tpt -66.28 -58.35 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.74 61.23 0.04 OUTLIER Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.672 -0.971 . . . . 0.0 110.672 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -131.15 81.45 1.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.35 137.18 7.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.7 mm -111.74 82.62 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.59 118.73 0.01 OUTLIER Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.6 m -113.51 -50.02 2.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.868 0.366 . . . . 0.0 110.226 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 177.51 -75.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.298 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.25 -36.23 3.67 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.629 ' HB1' HD12 ' A' ' 26' ' ' ILE . . . 65.63 133.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.262 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -78.08 -24.47 47.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.629 HD12 ' HB1' ' A' ' 24' ' ' ALA . 1.5 mp -56.12 -46.74 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.542 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -65.6 -35.31 80.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.625 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -55.55 -47.68 75.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.464 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.32 -31.85 72.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.199 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.0 ttp180 -72.59 -36.37 68.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.158 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -34.28 70.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.308 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.6 t -52.13 122.71 24.67 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.189 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -76.64 100.59 1.41 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.327 2.018 . . . . 0.0 112.184 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 168.51 -46.73 0.23 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.414 ' HA ' ' CA ' ' A' ' 51' ' ' GLY . 11.7 m -55.44 172.53 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 CA-C-O 120.95 0.405 . . . . 0.0 111.077 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.11 -41.27 3.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.76 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -173.38 170.63 4.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.307 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.2 tt -138.14 144.84 29.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -160.14 163.66 33.56 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.861 0.362 . . . . 0.0 110.718 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.636 HD12 ' O ' ' A' ' 46' ' ' THR . 33.8 tp -119.91 149.23 42.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.742 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.624 ' HB3' HG22 ' A' ' 44' ' ' THR . 48.1 m-20 -122.17 144.97 48.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.859 0.362 . . . . 0.0 110.926 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -103.38 -39.35 6.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.192 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.98 -57.21 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.226 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.653 HG23 HG22 ' A' ' 46' ' ' THR . 9.6 t -81.32 -20.25 41.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.455 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.3 m 56.26 84.89 0.08 Allowed 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 121.008 0.432 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.653 HG22 HG23 ' A' ' 44' ' ' THR . 10.7 t -172.49 -169.95 0.65 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.21 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -117.87 135.58 54.0 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 179.141 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.405 ' CD2' HG23 ' A' ' 46' ' ' THR . 19.2 m-70 -118.25 128.26 54.51 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.587 0.708 . . . . 0.0 111.019 -178.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' A' ' 60' ' ' ALA . 13.2 mm -120.9 136.21 58.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.319 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -119.63 134.54 55.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.674 ' HA3' HG22 ' A' ' 57' ' ' VAL . . . -167.05 141.83 7.17 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -77.64 -19.19 55.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.591 0.234 . . . . 0.0 110.625 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.721 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -116.28 114.73 24.77 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.752 0.31 . . . . 0.0 110.358 179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 37.6 tt0 -50.18 -50.36 49.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.597 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -52.59 -40.55 62.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.581 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.52 71.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.48 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.721 HG23 ' O ' ' A' ' 53' ' ' ASP . 21.6 t -65.81 -36.1 76.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.362 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mttt -63.31 -33.08 74.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -66.93 -38.65 86.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.39 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' A' ' 49' ' ' ILE . . . -56.28 -59.47 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.482 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -54.77 -25.59 28.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.407 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.37 -34.62 78.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.375 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -88.53 -29.05 20.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.567 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.426 HD21 ' HA ' ' A' ' 26' ' ' ILE . 7.5 mt -88.22 54.07 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.348 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.383 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 120.784 0.326 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.438 ' HB3' HG21 ' A' ' 36' ' ' THR . 0.0 OUTLIER 50.13 92.94 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.933 0.396 . . . . 0.0 110.393 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.16 -29.78 28.35 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.854 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -123.51 148.35 46.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.858 0.361 . . . . 0.0 110.387 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 20.3 p-80 -154.99 179.24 9.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.309 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 0.9 OUTLIER -148.44 139.76 23.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.582 -179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -136.64 113.1 10.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.392 179.409 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.498 ' CE1' ' HG3' ' A' ' 61' ' ' ARG . 21.9 p90 -136.29 135.03 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.536 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.4 pt -59.3 141.5 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.274 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.525 HG21 ' CD1' ' A' ' 47' ' ' PHE . 91.3 t -126.47 137.65 57.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.322 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.78 140.06 51.17 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.306 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -56.56 -35.78 68.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.442 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.45 -31.26 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.485 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mt -107.74 36.59 2.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.372 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -76.47 -38.26 55.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.352 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 120.66 42.56 0.49 Allowed Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' O ' HD23 ' A' ' 17' ' ' LEU . 3.2 tt -138.1 89.93 2.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.818 0.342 . . . . 0.0 110.376 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -137.54 143.55 41.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.397 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.669 ' N ' HD12 ' A' ' 19' ' ' ILE . 3.8 mp -86.17 85.92 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.28 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -170.18 -80.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 21.4 p -116.73 45.13 1.89 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.268 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -68.4 162.06 26.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.566 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 67.33 38.31 91.28 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -124.39 -33.4 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.377 0.132 . . . . 0.0 111.168 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -85.54 -66.17 0.93 Allowed 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.524 HG22 HD21 ' A' ' 64' ' ' LEU . 26.1 pt -53.84 -42.66 53.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 -178.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.407 ' N ' HG13 ' A' ' 26' ' ' ILE . 2.0 mm-40 -52.56 -46.27 66.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.668 0.27 . . . . 0.0 111.008 -179.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 32' ' ' VAL . 78.7 mt-30 -58.32 -48.05 81.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.344 . . . . 0.0 110.43 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.747 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . . . -56.6 -30.36 63.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.337 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.2 mtm-85 -78.01 -39.03 43.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.648 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -61.95 -28.74 69.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.658 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 28' ' ' GLN . 99.1 t -61.13 128.3 89.22 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.265 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -77.74 76.27 4.38 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.398 2.066 . . . . 0.0 112.144 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.452 ' HA3' ' HB1' ' A' ' 56' ' ' ALA . . . -171.86 -46.35 0.04 OUTLIER Glycine 0 CA--C 1.523 0.552 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.509 HG21 ' O ' ' A' ' 29' ' ' ALA . 12.5 t -58.56 83.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.848 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.843 HG22 ' O ' ' A' ' 50' ' ' TYR . 9.8 t -51.13 -25.43 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.303 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 178.06 144.56 0.11 Allowed 'General case' 0 C--N 1.333 -0.112 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.645 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.4 tt -120.31 141.15 41.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.136 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -144.71 161.14 39.95 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.98 0.419 . . . . 0.0 110.94 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.498 HD13 ' CE1' ' A' ' 47' ' ' PHE . 18.4 tp -121.48 153.14 38.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.931 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 2.1 m-20 -119.37 161.7 20.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.696 0.284 . . . . 0.0 110.386 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -130.51 -49.39 1.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.567 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -54.58 -33.29 60.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.572 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.3 t -109.96 -21.38 12.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.729 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 62.05 81.84 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 47' ' ' PHE . 32.7 m -157.52 168.44 27.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.97 -178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.525 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -116.21 127.7 54.98 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 179.414 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.448 ' C ' HD13 ' A' ' 49' ' ' ILE . 95.0 m-70 -117.67 129.77 55.94 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.53 0.681 . . . . 0.0 110.99 -178.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.448 HD13 ' C ' ' A' ' 48' ' ' HIS . 4.6 mm -119.47 133.96 64.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.611 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.843 ' O ' HG22 ' A' ' 36' ' ' THR . 15.2 m-85 -117.9 112.18 19.99 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.826 0.346 . . . . 0.0 110.376 -179.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -140.46 176.12 21.6 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.577 -1.009 . . . . 0.0 110.577 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -107.08 -24.82 11.83 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.766 0.317 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -113.95 131.19 56.4 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.375 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -55.74 -36.61 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.391 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -65.26 -31.81 73.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.452 ' HB1' ' HA3' ' A' ' 34' ' ' GLY . . . -74.35 -44.87 50.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 6' ' ' GLU . 38.9 t -64.85 -32.51 58.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -72.57 -52.51 15.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -53.2 -33.3 52.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.258 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.26 -57.41 6.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.206 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' HG3' ' CE1' ' A' ' 8' ' ' PHE . 4.0 ttp180 -55.48 -28.27 53.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.244 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.69 -46.72 86.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.127 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.432 ' HB2' HD12 ' A' ' 64' ' ' LEU . 2.9 m-85 -76.13 -24.15 54.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.416 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.747 ' CD1' ' HB2' ' A' ' 29' ' ' ALA . 6.2 mp -107.06 61.54 0.62 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.588 -179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.484 -0.77 . . . . 0.0 110.365 179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 120.784 0.326 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.99 91.45 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.32 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -81.85 -16.15 51.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.569 ' HB3' HG21 ' A' ' 57' ' ' VAL . 3.4 m-85 -121.03 132.09 54.68 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.854 0.359 . . . . 0.0 110.391 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' CD2' ' NE2' ' A' ' 7' ' ' GLN . 53.7 p-80 -152.19 155.92 38.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.447 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -129.53 150.32 50.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.686 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' NE2' ' CD2' ' A' ' 5' ' ' HIS . 11.2 mp0 -129.86 149.44 51.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.058 0.456 . . . . 0.0 111.317 -179.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -175.74 132.36 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.907 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 45' ' ' CYS . 39.7 pt -59.21 170.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.564 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.494 HG21 ' CD1' ' A' ' 47' ' ' PHE . 3.0 m -148.28 105.26 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.377 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -54.61 151.36 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.474 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.166 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.89 -30.97 71.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.264 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -113.53 31.21 6.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -39.84 67.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.192 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.21 31.73 3.98 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.729 -0.948 . . . . 0.0 110.729 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.17 40.24 2.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.714 0.292 . . . . 0.0 110.45 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -118.98 26.83 9.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 mm 45.44 92.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.955 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.91 -119.21 0.04 OUTLIER Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.68 86.41 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 57.62 89.17 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.429 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.52 128.85 4.74 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -86.55 158.12 19.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.779 0.323 . . . . 0.0 110.365 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -58.84 -39.63 81.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.272 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.471 ' HA ' HD21 ' A' ' 64' ' ' LEU . 2.5 mt -55.65 -30.92 27.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.165 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -82.88 -45.18 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -58.91 -50.84 72.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.278 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -40.08 95.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.44 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -64.08 -34.85 78.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.368 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.2 tttm -67.74 -25.99 65.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.315 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG13 ' HD2' ' A' ' 33' ' ' PRO . 57.9 t -55.38 139.68 66.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.25 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HD2' HG13 ' A' ' 32' ' ' VAL . 49.4 Cg_endo -78.91 87.62 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.543 2.162 . . . . 0.0 112.138 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 174.08 -51.82 0.15 Allowed Glycine 0 CA--C 1.522 0.505 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.5 t -63.93 115.97 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.79 0.328 . . . . 0.0 110.583 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.411 ' N ' ' O ' ' A' ' 50' ' ' TYR . 16.7 p -78.57 -33.87 47.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.014 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.72 145.29 12.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.611 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.509 HD12 HD12 ' A' ' 49' ' ' ILE . 1.3 tt -120.73 129.59 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.116 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -158.53 -162.21 1.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.318 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.524 HD23 ' H ' ' A' ' 40' ' ' LEU . 1.1 pt? -152.83 -167.59 2.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.835 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.91 132.07 54.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.14 55.33 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.052 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -143.24 -68.99 0.34 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.691 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.414 HG23 ' OG1' ' A' ' 46' ' ' THR . 7.7 t -107.79 27.85 8.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.453 ' O ' HG22 ' A' ' 9' ' ' ILE . 46.1 t 46.48 85.28 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.935 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 3.7 m -147.0 154.87 41.75 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.494 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -115.32 135.75 53.82 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.534 ' O ' HD13 ' A' ' 49' ' ' ILE . 89.0 m-70 -120.72 140.17 52.03 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.271 0.558 . . . . 0.0 111.429 -178.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.534 HD13 ' O ' ' A' ' 48' ' ' HIS . 14.3 mm -124.82 129.31 73.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 178.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.411 ' O ' ' N ' ' A' ' 36' ' ' THR . 37.3 m-85 -118.9 100.94 7.69 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.725 -178.133 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.54 174.36 15.95 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.454 -1.459 . . . . 0.0 109.454 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -115.44 43.15 2.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.829 0.347 . . . . 0.0 110.418 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.73 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -173.42 119.68 0.32 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.601 179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -56.14 -26.53 50.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.133 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.81 -31.61 51.84 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.448 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.37 -45.04 14.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.344 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 53' ' ' ASP . 17.7 t -60.65 -33.12 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -76.9 -33.25 57.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -71.5 -33.85 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.247 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.02 -35.91 79.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.324 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.46 -43.74 72.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.27 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -55.15 -31.72 61.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -87.13 -25.67 23.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.481 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD21 ' HA ' ' A' ' 26' ' ' ILE . 16.2 mt -97.23 35.42 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.463 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.473 -0.775 . . . . 0.0 110.287 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 64.08 -163.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.878 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -166.74 -35.3 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -117.58 94.29 4.48 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 38.9 p-80 -119.59 160.94 21.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.877 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -120.15 143.44 48.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.829 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.98 135.93 48.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.907 0.384 . . . . 0.0 110.48 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -169.86 136.54 1.55 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.231 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.47 HG22 ' O ' ' A' ' 45' ' ' CYS . 38.5 pt -66.38 142.91 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.321 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 47' ' ' PHE . 33.1 m -124.5 167.78 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.377 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.52 154.46 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.192 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -53.12 -38.01 62.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.38 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -57.36 -28.06 62.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.7 39.24 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.302 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -95.1 -49.62 5.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.416 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.477 ' HA2' HD11 ' A' ' 26' ' ' ILE . . . 172.32 46.91 0.04 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -125.29 107.79 11.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.875 0.369 . . . . 0.0 110.252 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -171.49 149.65 2.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.635 ' N ' HD12 ' A' ' 19' ' ' ILE . 4.3 mp -96.33 72.93 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.298 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.97 175.5 54.95 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 45.5 m -110.82 90.93 3.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.774 0.321 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 73.5 t60 58.77 28.69 17.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 174.52 137.95 2.59 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -124.01 -177.42 3.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.757 0.313 . . . . 0.0 110.507 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -62.68 -29.75 70.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.417 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.685 ' HA ' HD21 ' A' ' 64' ' ' LEU . 4.2 mt -73.74 -42.73 54.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.58 -27.48 64.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -72.65 -49.72 29.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.26 -34.43 70.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.33 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -38.24 67.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.184 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.09 -32.72 55.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.456 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 17.1 t -56.97 136.14 79.98 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.196 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -75.27 115.49 4.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.428 2.086 . . . . 0.0 111.935 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.476 ' O ' ' HA2' ' A' ' 51' ' ' GLY . . . 144.29 -24.39 2.04 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.401 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 6.0 t -85.9 111.19 20.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.986 0.422 . . . . 0.0 111.058 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' A' ' 50' ' ' TYR . 9.2 t -74.77 -23.55 58.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.569 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -178.17 165.3 1.87 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.341 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.422 ' CD1' HD12 ' A' ' 49' ' ' ILE . 2.4 tt -139.93 134.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.416 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.47 ' OD1' ' CE2' ' A' ' 50' ' ' TYR . 20.1 p-10 -157.94 -169.18 2.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.467 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.519 HD23 ' N ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -158.93 -162.85 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.196 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.76 130.0 20.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.893 0.378 . . . . 0.0 110.447 -179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -90.51 -41.3 11.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -30.8 62.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.7 -22.27 18.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.748 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.47 ' O ' HG22 ' A' ' 9' ' ' ILE . 16.4 t 65.96 49.82 1.57 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.113 0.482 . . . . 0.0 110.074 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.476 HG22 ' N ' ' A' ' 47' ' ' PHE . 15.5 m -136.92 166.91 22.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.715 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.55 ' CD1' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -117.93 140.86 49.13 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.536 ' C ' HD13 ' A' ' 49' ' ' ILE . 89.8 m-70 -122.66 125.07 44.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.428 0.632 . . . . 0.0 111.509 -178.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.536 HD13 ' C ' ' A' ' 48' ' ' HIS . 5.7 mm -118.99 129.76 74.73 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.482 ' HB3' ' CG2' ' A' ' 36' ' ' THR . 64.4 m-85 -114.71 118.31 33.25 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.338 0.59 . . . . 0.0 110.725 -178.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 34' ' ' GLY . . . -139.89 179.87 18.47 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.144 -1.182 . . . . 0.0 110.144 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.0 34.44 4.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.233 0.539 . . . . 0.0 110.237 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -170.76 108.82 0.32 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.202 179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 24.0 pt20 -49.49 -27.04 3.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.343 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.67 -42.48 86.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.452 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.12 -42.45 26.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.42 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 53' ' ' ASP . 40.2 t -51.26 -52.32 19.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.412 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.17 -45.87 86.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.46 -43.22 93.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.261 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.83 -36.39 83.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.368 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -31.74 71.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.477 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 11.3 t -68.51 -33.13 73.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.391 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.92 -31.8 63.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.489 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.685 HD21 ' HA ' ' A' ' 26' ' ' ILE . 34.3 mt -83.81 -62.86 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.372 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 62' ' ' SER . 18.1 mt-10 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.36 -0.829 . . . . 0.0 110.372 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.804 0.335 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.454 ' O ' ' CB ' ' A' ' 3' ' ' ARG . 6.2 p -93.36 -53.98 3.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.16 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 2' ' ' SER . 1.6 tpt180 88.65 -25.5 0.08 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.357 0.663 . . . . 0.0 111.297 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' O ' HG21 ' A' ' 57' ' ' VAL . 96.8 m-85 -120.9 89.77 3.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.875 0.369 . . . . 0.0 110.071 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.478 ' CD2' ' NE2' ' A' ' 7' ' ' GLN . 31.2 p-80 -124.3 172.5 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.81 -179.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -154.51 139.14 16.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.844 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.478 ' NE2' ' CD2' ' A' ' 5' ' ' HIS . 12.5 mp0 -119.79 140.31 50.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.907 0.384 . . . . 0.0 110.711 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -160.37 163.63 33.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.331 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 37.6 pt -101.27 149.71 6.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.297 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 33.2 m -119.82 165.97 14.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.333 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -99.8 152.26 20.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.358 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.38 -33.22 58.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.337 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -63.63 -54.21 39.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.425 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.95 35.83 2.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.371 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -26.18 65.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.426 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.79 42.18 1.87 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 19' ' ' ILE . 16.8 tp -149.28 -73.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.633 0.254 . . . . 0.0 110.495 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 55.55 -86.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.522 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 17' ' ' LEU . 26.9 mm -122.88 -42.06 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-O 120.9 0.381 . . . . 0.0 110.129 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.98 54.52 1.28 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.29 -50.93 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.441 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.3 t60 -137.2 59.75 1.67 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.67 98.69 0.2 Allowed Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.706 ' HB1' ' HB3' ' A' ' 27' ' ' GLN . . . -117.97 34.77 5.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.503 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -53.89 -41.2 67.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.161 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.661 HD13 ' CD2' ' A' ' 64' ' ' LEU . 26.4 mm -70.84 -36.43 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.133 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.706 ' HB3' ' HB1' ' A' ' 24' ' ' ALA . 11.3 tt0 -72.81 -37.53 67.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.255 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.611 ' O ' HG23 ' A' ' 32' ' ' VAL . 80.8 mt-30 -56.78 -48.85 76.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.235 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.53 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -63.41 -27.73 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.185 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.32 -43.83 16.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.404 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -52.41 -30.95 31.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.426 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 28' ' ' GLN . 35.5 t -54.91 129.57 65.86 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_endo -77.89 66.06 8.21 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.428 2.086 . . . . 0.0 112.045 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.62 -44.45 0.02 OUTLIER Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.53 HG21 ' O ' ' A' ' 29' ' ' ALA . 60.7 t -58.67 100.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.832 0.349 . . . . 0.0 110.394 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -36.37 72.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.33 149.74 30.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.518 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.0 tt -140.16 136.23 37.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.057 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.2 151.65 51.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.951 0.405 . . . . 0.0 110.608 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.632 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 55.1 tp -120.54 149.73 41.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.023 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.84 122.44 40.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.635 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -106.99 44.29 1.08 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.202 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -139.09 -62.08 0.55 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.261 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.404 ' HB ' ' OG1' ' A' ' 46' ' ' THR . 0.2 OUTLIER -99.96 23.11 10.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.368 179.899 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.2 t 46.73 36.46 3.81 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.976 0.417 . . . . 0.0 110.381 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.404 ' OG1' ' HB ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -95.15 163.86 13.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.235 -179.176 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.632 ' CZ ' HD13 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -139.74 129.3 24.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.08 179.316 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.408 ' O ' HD13 ' A' ' 49' ' ' ILE . 11.1 m-70 -119.63 127.83 53.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.187 0.518 . . . . 0.0 111.064 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 14.7 mm -120.59 126.66 75.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.46 -0.791 . . . . 0.0 108.954 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 5' ' ' HIS . 74.3 m-85 -116.88 101.27 8.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.145 0.498 . . . . 0.0 110.629 -179.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.5 169.21 12.79 Favored Glycine 0 CA--C 1.52 0.402 0 N-CA-C 110.302 -1.119 . . . . 0.0 110.302 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -98.38 -20.85 16.92 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.588 0.233 . . . . 0.0 110.857 -179.853 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 57' ' ' VAL . 83.4 m-20 -125.71 128.4 47.71 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 110.302 179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.48 -41.72 63.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.361 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.67 -35.35 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.44 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.06 -37.12 26.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.456 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 53' ' ' ASP . 48.5 t -64.25 -38.05 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.493 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -73.72 -46.68 44.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.236 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.44 -33.38 69.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.81 -27.9 44.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.25 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.57 -31.72 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.253 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.6 t -77.43 -42.9 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.283 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -56.01 -51.13 68.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.372 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.661 ' CD2' HD13 ' A' ' 26' ' ' ILE . 15.0 mt -51.67 -79.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.456 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' OXT' ' CG ' ' A' ' 65' ' ' GLU . 14.7 pt-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.442 -0.789 . . . . 0.0 110.317 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 120.863 0.363 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.532 ' CB ' HG21 ' A' ' 36' ' ' THR . 1.8 p -98.23 168.69 10.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.178 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 69.9 mtt180 -130.79 -39.78 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.926 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER -119.91 136.87 54.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.454 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.427 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 36.1 p-80 -145.75 169.83 17.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.719 179.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -150.78 130.59 13.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.413 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.1 130.84 55.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.984 0.421 . . . . 0.0 111.036 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.0 p90 -146.97 124.39 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.236 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 16.5 pt -65.57 144.78 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.216 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.1 m -120.67 139.45 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.86 150.89 46.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.324 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.16 -50.41 72.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.403 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -55.92 -50.5 70.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.3 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 30.4 mt -97.07 60.35 1.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.18 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -105.37 -69.19 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.462 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 179.23 43.49 0.07 OUTLIER Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.3 mm? -53.49 -65.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.381 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 62.21 68.42 0.67 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.351 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.1 mm -57.35 -33.19 43.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.314 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.92 50.99 0.22 Allowed Glycine 0 CA--C 1.522 0.502 0 N-CA-C 110.601 -1.0 . . . . 0.0 110.601 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 54.4 p -121.8 32.7 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.829 0.347 . . . . 0.0 110.395 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 65.24 81.23 0.21 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.638 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.07 128.68 2.93 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.481 -1.048 . . . . 0.0 110.481 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . -145.74 84.16 1.66 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.765 0.317 . . . . 0.0 110.614 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.401 ' OD1' HG13 ' A' ' 26' ' ' ILE . 4.8 p30 -84.55 -46.13 11.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.809 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.401 HG13 ' OD1' ' A' ' 25' ' ' ASN . 2.4 mp -56.14 -67.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.953 0.406 . . . . 0.0 111.265 -179.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -40.74 -42.5 1.77 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.774 -178.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 13.4 mm-40 -53.56 -54.45 37.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.47 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.92 -31.98 67.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.296 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -75.72 -25.32 56.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.664 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.6 mttt -76.39 -26.29 55.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.589 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 40.4 t -56.39 136.28 76.12 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.317 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -77.55 107.51 2.4 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.501 2.134 . . . . 0.0 112.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 145.89 -39.6 1.13 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 52.1 t -58.95 89.41 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.292 . . . . 0.0 110.35 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.532 HG21 ' CB ' ' A' ' 2' ' ' SER . 6.3 t -53.77 -26.45 23.74 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.81 0.338 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . 178.11 166.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.363 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.1 tt -134.7 151.89 32.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.411 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -144.53 151.73 39.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.337 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 41' ' ' ASP . 1.3 tt -119.97 144.69 47.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.505 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.507 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -120.06 111.87 18.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.46 179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -100.74 -33.69 10.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.096 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -55.38 -40.5 71.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.344 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -121.02 20.78 11.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 42.97 86.17 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.622 0.248 . . . . 0.0 110.792 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m -159.21 155.23 26.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.114 0.483 . . . . 0.0 110.736 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -118.44 125.3 49.66 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.648 ' C ' HD13 ' A' ' 49' ' ' ILE . 45.2 m-70 -118.59 127.5 53.67 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.103 0.478 . . . . 0.0 111.139 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.648 HD13 ' C ' ' A' ' 48' ' ' HIS . 5.0 mm -120.52 136.25 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.993 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -119.42 120.77 37.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 110.025 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 4' ' ' PHE . . . -141.86 146.67 17.9 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.628 -0.989 . . . . 0.0 110.628 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -77.23 -35.7 55.3 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -93.61 126.57 38.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.191 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -58.63 -30.87 67.61 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.337 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.91 -27.02 57.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.558 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -34.98 71.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.396 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 65.8 t -72.69 -33.47 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.571 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -70.41 -53.67 15.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.42 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.1 tptt -60.25 -32.81 71.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.376 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.41 -41.5 69.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.4 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.6 tmm_? -64.34 -36.15 83.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.431 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 47.5 t -69.96 -24.95 63.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.68 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -83.8 -26.83 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.599 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.9 mt -83.9 -33.51 24.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.49 -0.767 . . . . 0.0 110.374 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 120.842 0.354 . . . . 0.0 110.136 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.82 101.15 3.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.238 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.97 26.32 6.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.617 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.495 ' CE1' ' HG3' ' A' ' 54' ' ' GLN . 2.0 m-85 -146.21 78.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.977 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 29.9 p-80 -119.31 169.58 9.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.477 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 53.2 tt0 -150.38 136.38 18.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.253 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.8 139.37 53.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.476 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.5 p90 -158.99 151.28 21.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.463 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.437 HG22 ' O ' ' A' ' 45' ' ' CYS . 5.8 pt -75.99 157.75 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.145 179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.451 HG21 ' CD1' ' A' ' 47' ' ' PHE . 95.3 t -133.23 141.34 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.41 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.33 146.04 34.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.285 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -51.25 -26.03 6.57 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.525 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -67.33 -42.99 82.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.422 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD22 ' O ' ' A' ' 65' ' ' GLU . 1.5 mp -110.08 35.12 3.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.503 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -101.19 -66.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.407 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.11 29.04 2.57 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tp -134.02 136.15 43.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.828 0.347 . . . . 0.0 110.381 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -156.83 99.66 1.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.5 mm -82.68 85.04 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.371 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.41 -120.96 1.7 Allowed Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.5 p -104.23 -72.95 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.775 0.321 . . . . 0.0 110.311 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -163.83 145.3 9.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.481 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.29 -148.97 16.82 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . -171.46 173.31 4.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -81.41 -37.87 27.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.553 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.562 ' HA ' HD11 ' A' ' 64' ' ' LEU . 3.6 mt -57.29 -46.49 85.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.707 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -58.35 -24.93 61.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.686 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 32' ' ' VAL . 9.2 mm100 -77.56 -44.58 28.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.23 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -60.64 -29.84 69.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.214 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.6 ttt85 -80.11 -29.36 38.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.362 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -28.82 67.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.388 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 28' ' ' GLN . 48.9 t -57.42 134.37 81.71 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.366 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.9 99.05 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.438 2.092 . . . . 0.0 111.995 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 161.96 -47.86 0.35 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.611 -0.996 . . . . 0.0 110.611 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 56.7 t -56.5 109.57 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.9 0.381 . . . . 0.0 110.645 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' TYR . 21.9 p -59.53 -51.62 69.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.328 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -163.17 156.39 19.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.286 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 14.5 tt -119.77 141.15 41.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.605 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -141.84 150.37 41.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.347 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 41' ' ' ASP . 1.0 OUTLIER -119.85 153.78 35.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.156 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.64 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.84 113.13 20.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.363 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -100.08 30.08 3.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.758 179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -115.71 -40.5 3.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.405 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.444 HG23 ' OG1' ' A' ' 46' ' ' THR . 9.9 t -129.01 22.03 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.848 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.437 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.5 OUTLIER 47.72 92.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.463 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.444 ' OG1' HG23 ' A' ' 44' ' ' THR . 2.3 m -160.84 160.44 31.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.122 0.487 . . . . 0.0 111.04 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.587 ' CE2' HD23 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -120.7 128.92 53.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.231 179.22 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -119.59 126.14 50.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.495 0.665 . . . . 0.0 111.285 -179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 24.2 mm -119.4 130.26 74.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 36' ' ' THR . 93.2 m-85 -116.08 95.76 5.25 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.105 0.478 . . . . 0.0 110.567 -178.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -111.73 177.1 18.68 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.447 -1.061 . . . . 0.0 110.447 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -114.28 -33.49 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 110.251 -0.277 . . . . 0.0 110.251 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.803 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.7 OUTLIER -103.19 148.44 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.169 179.565 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.495 ' HG3' ' CE1' ' A' ' 4' ' ' PHE . 2.1 mp0 -62.94 -54.65 35.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.269 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.31 -38.19 70.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.583 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.2 -37.4 80.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.659 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.803 HG23 ' O ' ' A' ' 53' ' ' ASP . 13.8 t -74.51 -46.49 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.589 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -49.85 -62.05 1.78 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -49.41 -47.02 48.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.511 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -54.69 -60.43 3.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.497 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 8.9 tmm_? -60.35 -28.13 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -53.74 -42.11 67.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.566 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.6 ' HB2' HD12 ' A' ' 64' ' ' LEU . 3.1 m-85 -75.38 -38.04 60.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.459 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.6 HD12 ' HB2' ' A' ' 63' ' ' PHE . 6.7 mp -94.49 47.81 1.19 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.457 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.534 -0.746 . . . . 0.0 110.382 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -110.42 -75.08 0.63 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 168.41 -45.62 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.967 0.413 . . . . 0.0 109.981 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -122.72 104.8 9.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.735 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 49.4 p-80 -130.94 149.52 52.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.003 -179.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -122.47 146.8 47.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.634 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -126.46 140.98 52.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.996 -179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.3 p90 -157.54 158.56 35.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.0 pt -103.67 140.75 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.448 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.62 135.28 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.386 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.0 mtt85 -70.23 170.1 12.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.03 -27.62 61.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.501 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -82.9 -43.01 17.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.371 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -72.18 -15.7 61.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.36 -75.56 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.738 0.304 . . . . 0.0 110.796 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.31 70.13 0.06 OUTLIER Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.88 -51.15 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 53.34 24.69 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.63 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.4 mm 45.36 63.4 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.991 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.25 100.11 0.2 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.3 p -65.91 123.89 21.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.832 0.349 . . . . 0.0 110.373 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -160.96 35.27 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.37 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 140.01 -179.0 19.38 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -143.76 130.76 20.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.767 0.318 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 64' ' ' LEU . 15.1 m-20 -81.98 -41.94 20.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.455 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.539 ' HA ' HD21 ' A' ' 64' ' ' LEU . 13.4 pt -54.69 -33.59 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.304 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.413 ' N ' HG13 ' A' ' 26' ' ' ILE . 42.0 mt-30 -73.42 -47.36 42.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -56.69 17.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.89 -36.5 59.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.46 -33.28 73.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -67.33 -36.76 82.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.315 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.489 HG13 ' HD2' ' A' ' 33' ' ' PRO . 91.3 t -57.67 139.06 81.98 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.489 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.2 Cg_endo -77.12 103.71 1.79 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.409 2.073 . . . . 0.0 111.994 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 158.97 -55.26 0.36 Allowed Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HA ' ' HA2' ' A' ' 51' ' ' GLY . 59.9 t -55.31 102.82 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.382 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.0 p -78.72 -25.5 44.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.04 161.21 6.77 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.106 0.479 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.3 tt -128.79 138.23 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.546 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.25 148.23 52.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 111.289 -179.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.434 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 24.9 tp -120.77 158.99 26.33 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.706 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -119.3 128.77 54.44 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.821 0.343 . . . . 0.0 110.942 -179.519 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -93.77 -61.43 1.54 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.936 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -49.18 -62.44 1.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.473 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 91.3 m -107.33 96.12 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.275 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 3.5 t -42.19 102.38 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.332 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.3 m -153.97 162.06 41.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.729 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.44 127.24 50.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.908 0.385 . . . . 0.0 110.212 179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.425 ' CD2' ' OD1' ' A' ' 41' ' ' ASP . 37.7 m-70 -119.74 132.9 55.76 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.612 -179.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.444 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 10.7 mm -119.51 132.33 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -117.94 102.85 9.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.096 0.474 . . . . 0.0 111.434 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -122.22 168.17 14.78 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -105.31 -21.65 13.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.7 0.286 . . . . 0.0 110.398 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.504 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.7 t0 -107.22 125.22 50.85 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.191 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -53.6 -28.58 33.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.416 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.54 -29.56 52.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.532 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -32.48 61.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.586 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 53' ' ' ASP . 15.7 t -67.73 -46.74 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -64.25 -58.41 6.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.553 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.9 mtmt -51.13 -46.97 62.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.541 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.62 80.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.473 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -63.79 -39.91 95.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.537 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.13 -54.17 50.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.587 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -57.26 -59.12 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.528 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 26' ' ' ILE . 50.4 mt -49.4 -39.93 34.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.67 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.419 -0.8 . . . . 0.0 110.369 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 120.842 0.353 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -87.32 142.69 27.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.216 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 43.2 tpt85 -76.89 -40.45 47.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.47 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -127.78 153.94 45.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.527 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 8.7 p-80 -156.98 175.95 13.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.238 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.452 ' HB2' HG11 ' A' ' 57' ' ' VAL . 11.0 tp10 -147.06 134.21 20.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.602 -179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.409 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.6 OUTLIER -125.96 115.47 19.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.464 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.485 ' CE2' ' HG3' ' A' ' 61' ' ' ARG . 30.0 p90 -134.5 138.96 45.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.638 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 pt -74.05 135.53 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.8 142.23 43.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.883 0.373 . . . . 0.0 110.815 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -170.2 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.514 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.52 -41.2 6.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.244 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -64.93 -45.26 86.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.295 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mt -100.31 31.37 3.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.402 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.5 ttm -67.22 -61.67 1.81 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.341 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.29 55.99 0.65 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.1 135.17 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.864 0.364 . . . . 0.0 110.365 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.09 -170.37 3.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.1 mm -116.6 98.36 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.391 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.28 163.39 27.54 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.6 t -112.25 -24.61 9.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.312 . . . . 0.0 110.631 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -132.49 42.81 3.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.381 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.11 -174.89 15.03 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -164.68 164.14 21.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.769 0.319 . . . . 0.0 110.161 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -84.32 -44.4 13.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.068 -179.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.656 ' HA ' HD21 ' A' ' 64' ' ' LEU . 21.5 pt -60.63 -36.3 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.982 -179.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.429 ' N ' HG13 ' A' ' 26' ' ' ILE . 25.8 tt0 -65.87 -39.59 90.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.695 0.283 . . . . 0.0 110.74 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.657 ' O ' HG23 ' A' ' 32' ' ' VAL . 8.6 mm100 -59.41 -39.1 82.35 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.78 0.324 . . . . 0.0 110.188 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -69.35 -27.08 65.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.17 179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -84.2 -26.88 28.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.417 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -71.41 -30.93 66.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.556 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 28' ' ' GLN . 20.6 t -63.29 136.62 96.78 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.39 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_endo -79.53 95.94 1.05 Allowed 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.551 2.167 . . . . 0.0 112.048 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.91 -51.97 0.23 Allowed Glycine 0 CA--C 1.521 0.434 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.494 HG21 ' O ' ' A' ' 29' ' ' ALA . 17.1 t -54.32 153.82 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 0.0 110.418 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 48.3 p -115.14 -36.29 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.262 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -167.76 174.14 7.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.468 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.5 tt -151.21 150.78 13.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.412 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -146.68 170.14 17.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.342 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.785 HD23 ' N ' ' A' ' 41' ' ' ASP . 4.9 tt -130.43 143.15 50.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.785 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -119.87 114.08 21.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.352 179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -100.95 -21.82 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.608 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -50.05 -43.38 50.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.827 0.346 . . . . 0.0 110.548 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.406 HG23 ' OG1' ' A' ' 46' ' ' THR . 5.1 t -135.93 29.2 3.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.369 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 50.08 81.8 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.812 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 41' ' ' ASP . 3.1 m -144.2 156.57 44.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.993 0.425 . . . . 0.0 110.656 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.409 ' O ' ' HA ' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -119.44 133.97 55.44 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 179.387 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -119.52 129.23 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.851 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.428 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 18.2 mm -119.77 132.52 69.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.807 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -117.88 96.26 5.28 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.95 0.405 . . . . 0.0 110.619 -179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA2' ' HA ' ' A' ' 35' ' ' VAL . . . -127.78 138.5 10.48 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.402 -1.079 . . . . 0.0 110.402 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -20.1 60.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.624 0.25 . . . . 0.0 110.352 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 57' ' ' VAL . 9.2 m-20 -117.41 120.11 37.15 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.741 0.305 . . . . 0.0 110.328 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -56.29 -28.17 57.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.209 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -64.66 -45.51 86.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.354 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -67.8 -34.14 76.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.419 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 53' ' ' ASP . 44.7 t -61.58 -37.72 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.507 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -64.84 -65.0 0.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.537 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -50.95 -37.97 47.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.563 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.684 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -61.27 -53.07 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.409 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.485 ' HG3' ' CE2' ' A' ' 8' ' ' PHE . 1.9 tmm_? -54.44 -43.21 71.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.548 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.16 -41.72 49.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.803 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -68.13 -33.47 74.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.816 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.656 HD21 ' HA ' ' A' ' 26' ' ' ILE . 5.9 mp -95.42 -77.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.596 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 61' ' ' ARG . 19.7 mt-10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.503 -0.761 . . . . 0.0 110.394 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.4 ' CB ' ' HB3' ' A' ' 50' ' ' TYR . 6.6 t -74.46 142.68 44.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.34 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.95 -37.62 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.687 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -120.0 129.24 54.18 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.824 0.345 . . . . 0.0 110.09 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 45.5 p-80 -141.54 151.49 43.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 -179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -128.16 130.82 48.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.883 -0.598 . . . . 0.0 109.929 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -119.46 125.13 48.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.973 0.416 . . . . 0.0 110.371 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -141.62 133.29 27.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.263 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 pt -69.86 137.6 23.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.407 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 99.1 t -128.76 130.13 68.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.319 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.422 ' HD3' ' CD1' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.44 163.48 16.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.426 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.53 -33.63 32.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.457 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.67 -66.58 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' CD1' ' HD3' ' A' ' 11' ' ' ARG . 0.4 OUTLIER -71.34 -20.78 62.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 14.7 tpp -47.92 -46.87 32.37 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.786 0.326 . . . . 0.0 110.715 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.22 -92.68 2.18 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.631 -0.987 . . . . 0.0 110.631 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.1 tp 56.86 103.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.329 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -174.06 101.5 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.493 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.607 HD12 ' N ' ' A' ' 19' ' ' ILE . 4.2 mp -80.04 -24.2 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.302 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.78 171.32 27.34 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.6 p -104.78 -175.99 2.95 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 51.41 34.38 11.87 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -131.34 95.23 0.31 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' O ' ' N ' ' A' ' 27' ' ' GLN . . . -107.2 74.28 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 178.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 m-20 -31.3 -54.25 0.23 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.61 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.649 ' HA ' HD21 ' A' ' 64' ' ' LEU . 22.6 mm -53.8 -42.44 52.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.065 -178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 24' ' ' ALA . 9.4 tt0 -63.22 -50.98 68.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.848 0.356 . . . . 0.0 110.609 -179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -46.88 -48.06 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.023 -179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -59.25 -34.2 71.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.268 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -74.1 -38.36 63.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.266 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.2 mptp? -57.52 -26.69 61.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG13 ' HD2' ' A' ' 33' ' ' PRO . 80.9 t -54.46 138.49 59.68 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.265 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.428 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.6 Cg_endo -81.18 57.74 6.63 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.568 2.179 . . . . 0.0 112.144 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.436 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -176.08 40.13 0.1 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 12.8 t -141.71 81.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.784 0.326 . . . . 0.0 110.209 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.9 t -49.55 -45.56 47.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.563 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -153.41 165.9 34.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.077 0.465 . . . . 0.0 110.844 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.457 ' CD1' HD12 ' A' ' 49' ' ' ILE . 12.1 tt -141.72 145.78 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.912 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -140.01 150.96 45.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.093 0.473 . . . . 0.0 111.085 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.887 HD23 ' N ' ' A' ' 41' ' ' ASP . 2.6 tt -121.66 156.37 33.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.862 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.887 ' N ' HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -119.59 112.81 19.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.01 0.433 . . . . 0.0 110.506 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -98.81 25.37 6.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.271 179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.34 -62.89 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.185 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.762 HG23 ' OG1' ' A' ' 46' ' ' THR . 9.8 t -106.91 23.71 13.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.453 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 46.83 78.28 0.07 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.735 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.762 ' OG1' HG23 ' A' ' 44' ' ' THR . 0.6 OUTLIER -136.61 150.44 48.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.467 179.899 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.27 122.03 40.99 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 80.2 m-70 -118.31 128.73 54.94 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.173 0.511 . . . . 0.0 110.725 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 38' ' ' ILE . 9.7 mm -119.56 130.17 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.4 ' HB3' ' CB ' ' A' ' 2' ' ' SER . 35.5 m-85 -117.24 120.26 37.69 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.151 0.501 . . . . 0.0 110.393 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -135.75 -153.77 6.75 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.243 -1.143 . . . . 0.0 110.243 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -128.4 -41.24 1.56 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.626 0.251 . . . . 0.0 110.672 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -102.37 127.87 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.852 0.358 . . . . 0.0 110.51 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -57.13 -26.02 59.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.55 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.45 -41.43 63.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.66 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -63.62 -54.71 31.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.739 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 97.3 t -49.09 -40.03 12.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.575 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -57.66 -41.92 82.45 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.441 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -65.77 -42.7 90.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.906 0.384 . . . . 0.0 110.427 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.571 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -65.37 -33.48 76.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.416 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.71 -32.21 71.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.0 t -64.25 -42.71 96.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.383 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -72.55 -21.12 61.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.696 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.649 HD21 ' HA ' ' A' ' 26' ' ' ILE . 88.4 mt -94.97 32.75 1.61 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.802 0.334 . . . . 0.0 110.596 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.429 -0.796 . . . . 0.0 110.42 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 120.817 0.341 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -148.99 121.73 8.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.216 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.76 -39.83 9.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.524 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -119.82 147.34 44.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.283 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 46.2 p-80 -159.22 147.85 18.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.389 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -120.01 158.36 26.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.143 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -141.69 136.91 31.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.029 0.443 . . . . 0.0 110.971 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.421 ' N ' ' CD1' ' A' ' 8' ' ' PHE . 5.6 p90 -160.32 131.41 5.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.175 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.4 pt -66.19 138.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.512 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.1 t -123.05 151.28 27.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.411 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -84.04 147.46 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.266 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.42 -35.07 79.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.313 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -74.4 -35.32 63.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.108 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -106.16 31.09 5.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.353 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.25 -54.0 4.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.374 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 153.8 95.14 0.11 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' A' ' 17' ' ' LEU . 9.9 mt -138.11 64.04 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.788 0.328 . . . . 0.0 110.336 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.47 110.21 6.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.282 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.402 HG22 ' O ' ' A' ' 19' ' ' ILE . 21.7 mm -91.76 53.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.244 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.06 175.99 18.6 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.804 -0.918 . . . . 0.0 110.804 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.45 -171.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.688 0.28 . . . . 0.0 110.517 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -81.52 136.8 35.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.357 0.598 . . . . 0.0 111.236 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -174.97 65.17 0.1 Allowed Glycine 0 CA--C 1.519 0.342 0 N-CA-C 109.953 -1.259 . . . . 0.0 109.953 179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.771 ' HB1' ' HB2' ' A' ' 27' ' ' GLN . . . -95.38 44.45 1.09 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.844 0.354 . . . . 0.0 110.951 -179.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -46.74 -54.3 10.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.066 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.424 ' HA ' HD21 ' A' ' 64' ' ' LEU . 13.4 mt -70.3 -36.23 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.542 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.771 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . 0.3 OUTLIER -68.67 -44.47 73.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.614 0.245 . . . . 0.0 110.635 -179.541 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 24' ' ' ALA . 2.4 mt-30 -52.49 -46.47 66.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.218 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' A' ' 60' ' ' ALA . . . -57.82 -42.29 84.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.592 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtp180 -71.02 -38.59 72.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.563 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -52.23 -34.75 47.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.246 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.464 HG13 ' HD2' ' A' ' 33' ' ' PRO . 46.5 t -56.18 139.85 71.92 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.235 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HD2' HG13 ' A' ' 32' ' ' VAL . 48.0 Cg_endo -75.94 118.24 4.96 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.456 2.104 . . . . 0.0 112.086 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 132.07 -36.42 2.21 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.667 -0.973 . . . . 0.0 110.667 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.714 HG21 ' O ' ' A' ' 29' ' ' ALA . 24.3 t -57.19 89.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.755 0.312 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.473 HG23 ' H ' ' A' ' 52' ' ' GLU . 27.7 p -58.89 -40.3 84.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -166.73 -177.13 3.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.358 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.4 tt -144.45 141.29 24.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.86 179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.22 172.61 12.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.074 0.464 . . . . 0.0 110.987 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.6 tp -150.33 149.82 30.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.739 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.24 109.15 15.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.884 0.373 . . . . 0.0 110.435 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -83.28 -31.74 26.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.659 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.48 -59.35 2.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.8 m -70.76 -26.93 63.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.393 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.1 t 71.9 71.94 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 47' ' ' PHE . 2.0 m -151.25 171.45 17.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.659 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.53 ' H ' HG22 ' A' ' 46' ' ' THR . 0.2 OUTLIER -117.82 130.0 56.01 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 179.429 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.404 ' O ' HD13 ' A' ' 49' ' ' ILE . 93.0 m-70 -119.77 128.83 54.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.234 0.54 . . . . 0.0 111.288 -179.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.411 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 21.4 mm -118.77 133.49 65.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -115.08 105.56 13.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.051 0.453 . . . . 0.0 110.266 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.2 122.17 3.97 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' H ' HG23 ' A' ' 36' ' ' THR . 0.1 OUTLIER -62.01 -29.36 70.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.853 0.359 . . . . 0.0 110.262 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.49 139.53 37.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.421 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -68.05 -40.58 82.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.262 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -66.68 -31.29 71.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.61 -59.33 2.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.543 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.502 HG13 ' N ' ' A' ' 58' ' ' LYS . 9.5 p -50.46 -46.06 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.493 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' N ' HG13 ' A' ' 57' ' ' VAL . 1.3 mmmt -59.33 -46.36 88.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.479 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.85 -47.03 87.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.401 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.743 ' HB1' ' HB1' ' A' ' 29' ' ' ALA . . . -62.27 -39.21 92.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.439 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -57.1 -49.04 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.53 -37.26 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.791 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -59.48 -34.46 72.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.356 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.424 HD21 ' HA ' ' A' ' 26' ' ' ILE . 2.2 mt -90.73 -26.07 19.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.525 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.481 -0.771 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -90.18 104.43 17.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.21 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -97.75 23.34 8.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.679 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.498 ' CE2' ' HG3' ' A' ' 54' ' ' GLN . 20.3 m-85 -141.93 72.59 1.38 Allowed 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.452 ' HB2' ' O ' ' A' ' 49' ' ' ILE . 41.5 p-80 -119.42 157.06 28.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.844 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -136.12 146.87 47.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.166 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -121.51 152.84 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.489 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.3 p90 -179.45 150.27 0.42 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.178 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.486 HG22 ' O ' ' A' ' 45' ' ' CYS . 3.2 pt -87.31 151.04 3.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.855 0.359 . . . . 0.0 110.775 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 10' ' ' VAL . 17.7 m -123.69 118.02 52.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.09 143.53 17.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.352 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.91 -60.88 2.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.266 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -53.12 -29.2 29.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.374 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.45 36.8 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.426 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -93.19 -27.68 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.429 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.43 -57.94 0.04 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.4 tp 66.88 69.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 0.0 110.236 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -97.66 83.94 3.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.537 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.9 mm -73.81 -29.58 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.267 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.13 -50.21 0.89 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.686 -0.966 . . . . 0.0 110.686 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.0 p -70.0 -38.28 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 110.512 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -67.06 138.09 56.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.223 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.17 -95.57 0.25 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.421 -1.071 . . . . 0.0 110.421 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -144.39 141.33 29.6 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -81.86 -50.94 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.282 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.594 ' HA ' HD21 ' A' ' 64' ' ' LEU . 45.9 mt -56.12 -64.12 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.81 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -47.06 -37.71 9.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.419 -178.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -68.26 -44.04 76.47 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.591 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.45 -37.5 72.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.6 mtp85 -70.44 -38.7 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.285 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -54.14 -40.67 67.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.197 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' HD2' ' A' ' 33' ' ' PRO . 45.2 t -51.95 139.18 33.32 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.343 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.457 ' HD2' HG13 ' A' ' 32' ' ' VAL . 47.3 Cg_endo -73.92 134.17 19.39 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.489 2.126 . . . . 0.0 111.966 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 121.51 -46.77 1.08 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 110.329 -1.109 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.3 t -57.73 130.74 21.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.062 0.458 . . . . 0.0 110.537 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.53 -26.95 15.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.21 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -179.76 175.41 0.85 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.984 0.421 . . . . 0.0 111.059 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.543 HD13 HG23 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -119.52 135.05 61.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.616 179.318 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -129.15 136.84 50.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.092 0.472 . . . . 0.0 111.125 -179.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' HG ' ' N ' ' A' ' 41' ' ' ASP . 6.8 tp -127.83 150.68 49.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.38 179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.44 ' N ' ' HG ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -119.9 119.57 33.9 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.986 0.422 . . . . 0.0 111.089 -179.551 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -61.38 -76.36 0.06 Allowed 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.219 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 45' ' ' CYS . 2.2 m-20 -47.87 -75.66 0.03 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.386 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.468 ' O ' HG22 ' A' ' 46' ' ' THR . 0.0 OUTLIER -63.1 81.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.061 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.486 ' O ' HG22 ' A' ' 9' ' ' ILE . 49.0 t -48.82 90.08 0.0 OUTLIER 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.715 -179.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' THR . 6.3 t -157.92 174.39 15.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.109 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.3 134.97 54.93 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.429 179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -119.87 138.69 53.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.085 179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.452 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 22.2 mm -119.28 137.33 53.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.8 m-30 -116.4 93.62 4.3 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.417 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.91 162.32 17.98 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -102.88 -24.06 13.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.628 0.252 . . . . 0.0 110.593 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.48 170.11 9.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.867 0.365 . . . . 0.0 110.373 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -83.84 -57.3 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.424 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -62.1 -29.0 70.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.677 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.85 -55.1 36.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.3 t -61.27 -44.76 99.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.511 -179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -54.36 -45.16 72.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.516 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -52.25 56.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.39 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.437 ' O ' HD12 ' A' ' 64' ' ' LEU . . . -53.28 -40.06 64.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.529 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 65' ' ' GLU . 4.3 ttp180 -65.13 -32.48 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.478 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.4 t -70.25 -37.27 74.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.35 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -72.77 -29.62 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.437 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.594 HD21 ' HA ' ' A' ' 26' ' ' ILE . 5.8 mt -90.05 -34.28 16.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.398 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 5.3 mm-40 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.561 -0.733 . . . . 0.0 110.358 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 120.825 0.345 . . . . 0.0 110.163 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 4' ' ' PHE . 5.6 m 55.55 36.08 26.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.609 179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.36 -66.36 0.2 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.927 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -119.87 137.34 54.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.727 -179.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.2 p-80 -157.66 160.25 37.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.253 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -141.2 127.46 19.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.151 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' PHE . 15.9 pt20 -120.14 131.25 54.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.948 0.404 . . . . 0.0 110.93 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -147.37 162.18 39.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.305 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 38.8 pt -90.43 151.68 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.566 HG21 ' HD2' ' A' ' 47' ' ' PHE . 74.6 t -123.49 142.53 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.46 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -69.01 135.71 51.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.447 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -46.81 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.35 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -57.46 -52.7 64.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -98.36 49.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.365 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -94.44 -67.55 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.405 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.414 ' O ' HD22 ' A' ' 17' ' ' LEU . . . 151.96 68.31 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.414 HD22 ' O ' ' A' ' 16' ' ' GLY . 0.5 OUTLIER -128.96 151.24 49.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.373 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 58.8 62.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.309 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 19' ' ' ILE . 48.1 mm -76.37 72.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.364 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -132.12 29.41 3.35 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.555 -1.018 . . . . 0.0 110.555 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.47 -68.12 0.77 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.41 0.148 . . . . 0.0 110.942 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' O ' ' ND1' ' A' ' 22' ' ' HIS . 10.3 p80 -176.73 64.87 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 121.155 -0.218 . . . . 0.0 111.478 -179.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -90.21 134.28 12.26 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 110.461 -1.056 . . . . 0.0 110.461 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.516 ' HB1' HE21 ' A' ' 27' ' ' GLN . . . -163.36 27.99 0.09 Allowed 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 117.061 0.43 . . . . 0.0 111.678 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 p-10 -86.28 -52.47 5.61 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.86 0.362 . . . . 0.0 111.625 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mt -45.9 -61.55 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.516 HE21 ' HB1' ' A' ' 24' ' ' ALA . 22.7 pt20 -50.73 -44.12 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.723 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' ' 24' ' ' ALA . 79.0 mm-40 -48.32 -50.43 30.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.642 0.258 . . . . 0.0 110.962 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.5 ' O ' HG21 ' A' ' 35' ' ' VAL . . . -58.29 -39.46 79.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.8 -179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.7 ttt85 -68.58 -30.11 68.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.646 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.62 -28.03 64.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.654 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -57.28 128.54 78.62 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.264 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -77.06 62.84 7.58 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.53 2.153 . . . . 0.0 112.065 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.426 ' HA3' ' CB ' ' A' ' 56' ' ' ALA . . . -178.35 38.17 0.08 OUTLIER Glycine 0 CA--C 1.522 0.528 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 29' ' ' ALA . 14.3 t -130.6 93.46 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.306 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 37' ' ' ALA . 0.8 OUTLIER -57.31 -26.32 60.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.454 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 36' ' ' THR . . . 176.98 161.79 0.43 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.875 0.369 . . . . 0.0 110.751 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 38' ' ' ILE . 3.2 tt -132.59 126.02 54.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.04 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -129.81 153.6 48.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.116 0.484 . . . . 0.0 111.032 -179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD13 ' CZ ' ' A' ' 47' ' ' PHE . 20.9 tp -123.76 159.15 30.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.586 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -118.35 129.13 55.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.914 0.387 . . . . 0.0 110.073 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -91.36 -62.6 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.055 -179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -47.73 -31.5 4.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.887 -179.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.417 ' O ' ' N ' ' A' ' 46' ' ' THR . 99.2 m -131.33 106.38 8.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.073 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 37.0 t -49.23 92.22 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.565 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.433 HG22 ' N ' ' A' ' 47' ' ' PHE . 27.8 m -152.92 158.89 42.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.313 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.566 ' HD2' HG21 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -119.14 130.13 55.39 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.392 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.506 ' O ' HD13 ' A' ' 49' ' ' ILE . 11.4 m-70 -119.16 130.19 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.129 0.49 . . . . 0.0 110.671 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.506 HD13 ' O ' ' A' ' 48' ' ' HIS . 10.2 mm -118.92 135.01 60.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -116.64 108.01 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 -178.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -142.39 133.38 5.58 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -58.87 -31.5 68.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.674 0.273 . . . . 0.0 110.63 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.633 ' O ' HG23 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -109.83 154.8 22.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 110.587 -179.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.453 ' HG3' ' N ' ' A' ' 55' ' ' ASP . 23.1 pt20 -82.68 -38.04 23.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.983 -179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 2.8 t0 -56.08 -41.16 74.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.953 0.406 . . . . 0.0 110.632 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.426 ' CB ' ' HA3' ' A' ' 34' ' ' GLY . . . -69.16 -43.75 73.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.372 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 53' ' ' ASP . 59.4 t -65.2 -33.39 63.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.48 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -37.07 74.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.303 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.5 ttmm -79.37 -28.44 41.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.144 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.38 -51.04 32.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.275 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.436 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.9 OUTLIER -63.43 -25.51 68.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.35 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -69.48 -30.49 68.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 0.0 109.976 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.59 -49.52 14.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.161 179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.8 mt -61.35 -65.99 0.61 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.343 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.54 -0.743 . . . . 0.0 110.43 -179.972 . . . . . . . . 0 0 . 1 stop_ save_