data_2n2x_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 2n2x _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 114.413 1.264 . . . . 25.0 114.413 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.46 -45.61 81.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 121.528 -0.733 . . . . 50.0 109.975 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.6 -25.05 63.77 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.438 -0.346 . . . . 25.0 110.37 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -39.45 20.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.037 0.754 . . . . 50.0 113.037 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.28 -36.02 5.7 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.416 2.006 . . . . 50.0 116.416 -173.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -75.82 -51.91 11.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.156 -1.794 . . . . 50.0 106.156 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.1 m -71.54 -48.66 47.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.128 1.159 . . . . 25.0 114.128 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -117.03 -177.43 3.2 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.973 -0.454 . . . . 50.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.11 134.44 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 107.377 -1.342 . . . . 50.0 107.377 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -132.87 166.48 22.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.9 t -137.9 170.86 15.32 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 -175.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -31.31 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.673 0.389 . . . . 50.0 111.372 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.01 -43.6 86.77 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.991 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -79.86 -37.83 34.05 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 121.028 -0.269 . . . . 50.0 110.814 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.97 -37.59 69.26 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 50.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.28 -26.03 68.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.248 0.833 . . . . 50.0 113.248 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -71.67 -18.16 62.19 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.204 -0.935 . . . . 50.0 110.456 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.295 0.569 . . . . 50.0 109.75 178.407 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.222 -0.356 0 N-CA-C 107.327 -1.361 . . . . 25.0 107.327 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -77.7 125.73 29.78 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.425 -0.807 . . . . 50.0 110.1 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -164.52 177.64 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.737 -1.579 . . . . 50.0 106.737 -175.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.49 134.89 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.619 -1.252 . . . . 50.0 107.619 173.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 mt -138.34 138.64 38.51 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 107.766 -1.198 . . . . 50.0 107.766 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.85 166.11 31.54 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.232 -0.655 . . . . 50.0 109.232 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.39 -135.79 22.83 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 115.559 0.983 . . . . 25.0 115.559 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -62.41 -29.97 70.88 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.439 -0.448 . . . . 25.0 111.26 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -66.89 -37.06 83.67 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.547 -0.461 . . . . 50.0 110.12 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -46.31 85.47 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.402 -0.363 . . . . 50.0 110.122 174.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.45 -41.73 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 120.884 0.373 . . . . 50.0 110.001 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.15 -44.23 87.79 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.81 0.444 . . . . 50.0 111.776 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.31 94.99 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.14 -0.624 . . . . 25.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -37.85 87.86 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.467 0.48 . . . . 50.0 109.77 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.04 -44.43 84.61 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.97 -0.292 . . . . 25.0 111.545 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 mt -65.81 -40.52 91.94 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.618 -0.433 . . . . 50.0 110.948 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 119.785 -0.766 . . . . 50.0 112.473 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.48 -24.81 1.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 117.127 2.269 . . . . 50.0 117.127 -172.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.526 0 C-N-CA 119.331 -1.414 . . . . 25.0 110.816 176.77 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.6 tp . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.05 -43.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.545 -0.722 . . . . 50.0 110.32 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -74.84 -16.8 60.68 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.601 -0.687 . . . . 25.0 112.155 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -30.52 15.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.59 0.589 . . . . 50.0 112.59 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -109.04 -41.82 4.6 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.614 1.339 . . . . 50.0 114.614 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -79.66 -26.33 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 50.0 109.007 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -101.09 -46.34 5.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.795 -0.638 . . . . 25.0 112.562 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -112.3 -177.12 3.08 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.893 -0.505 . . . . 50.0 110.293 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.7 mm -88.08 133.49 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.043 -1.466 . . . . 50.0 107.043 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.84 161.95 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -132.34 175.25 9.44 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 50.0 111.525 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.43 -50.36 73.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.786 -0.643 . . . . 50.0 111.375 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -68.8 -41.44 78.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.435 -0.95 . . . . 50.0 108.435 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.99 -35.69 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.406 1.261 . . . . 50.0 114.406 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.1 -32.98 71.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.764 -0.374 . . . . 50.0 111.828 176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.6 -15.74 61.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.928 -0.483 . . . . 50.0 110.997 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 50.0 110.512 176.938 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.236 0.387 0 N-CA-C 108.007 -1.108 . . . . 25.0 108.007 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -75.94 133.43 40.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.462 -1.311 . . . . 50.0 107.462 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -167.29 -179.29 4.44 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.477 -1.305 . . . . 50.0 107.477 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -81.23 134.37 35.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.42 -1.326 . . . . 50.0 107.42 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -135.29 139.84 44.68 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.264 -1.013 . . . . 50.0 108.264 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -151.0 163.02 39.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.34 -138.85 21.9 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.022 1.169 . . . . 25.0 116.022 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.49 -31.32 69.24 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.21 -0.495 . . . . 25.0 111.801 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -65.97 -36.53 83.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.527 -0.733 . . . . 50.0 110.611 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -44.48 86.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.514 -0.55 . . . . 50.0 109.514 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.4 -44.4 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 120.952 -0.299 . . . . 50.0 110.231 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -59.43 -43.08 93.17 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.665 -0.243 . . . . 50.0 111.245 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.18 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.796 -0.565 . . . . 25.0 111.176 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.48 -37.12 86.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.245 0.545 . . . . 50.0 111.087 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -66.21 -40.92 90.69 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.094 -0.379 . . . . 25.0 111.268 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 mt -68.57 -38.82 81.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.772 -0.58 . . . . 50.0 111.012 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.23 -38.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.8 0.667 . . . . 50.0 112.8 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -123.16 -29.98 3.8 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 116.842 2.164 . . . . 50.0 116.842 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.032 0 N-CA-C 110.602 -0.999 . . . . 25.0 110.602 179.032 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 121.173 0.511 . . . . 25.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.3 t -56.57 -47.93 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 112.566 0.58 . . . . 50.0 112.566 -176.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.26 2.25 13.78 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.115 -0.99 . . . . 25.0 113.327 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -116.35 -24.98 7.68 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.271 0.471 . . . . 50.0 112.271 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 m -111.71 -33.42 6.34 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.978 1.103 . . . . 50.0 113.978 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.83 -49.41 12.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.023 -1.473 . . . . 50.0 107.023 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.7 m -75.87 -39.3 56.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -176.57 3.02 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.937 -0.477 . . . . 50.0 111.7 -177.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -96.31 132.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.377 -1.342 . . . . 50.0 107.377 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.01 153.99 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -115.32 175.55 5.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.187 -1.042 . . . . 50.0 108.187 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -32.45 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.545 0.528 . . . . 50.0 112.107 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.48 -43.96 97.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 50.0 111.456 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -69.56 -44.18 71.42 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 107.892 -1.151 . . . . 50.0 107.892 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.38 -39.53 60.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.161 0.43 . . . . 50.0 112.161 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.66 -35.88 71.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.666 0.617 . . . . 50.0 112.666 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -71.29 -18.84 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.119 -0.363 . . . . 50.0 111.063 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 . . . . . 0 C--O 1.216 -0.68 0 N-CA-C 109.717 -0.475 . . . . 50.0 109.717 178.09 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.4 t . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 107.225 -1.398 . . . . 25.0 107.225 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -68.41 122.31 18.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -162.34 178.17 8.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.492 -1.299 . . . . 50.0 107.492 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -74.93 109.87 8.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.397 -1.334 . . . . 50.0 107.397 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -111.42 136.18 50.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 107.064 -1.458 . . . . 50.0 107.064 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -151.93 164.09 37.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.249 -0.432 . . . . 50.0 110.01 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.26 -135.15 32.37 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.481 0.952 . . . . 25.0 115.481 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -60.23 -31.73 70.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.836 -0.682 . . . . 25.0 110.289 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -69.52 -34.77 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.749 -0.594 . . . . 50.0 110.774 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.29 92.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.221 -0.659 . . . . 50.0 109.221 174.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.12 -43.88 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 108.68 -0.859 . . . . 50.0 108.68 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.71 -42.07 92.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.15 -0.344 . . . . 50.0 111.777 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.82 82.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.687 -0.405 . . . . 25.0 110.443 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -35.64 79.81 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.212 0.53 . . . . 50.0 109.711 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.65 -42.61 77.71 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.75 -38.52 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.711 -0.618 . . . . 50.0 111.927 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -82.59 -32.84 10.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 113.917 1.08 . . . . 50.0 113.917 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -126.08 -35.38 2.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 114.452 1.278 . . . . 50.0 114.452 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.72 0 C-N-CA 119.839 -1.172 . . . . 25.0 112.674 179.714 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 tt . . . . . 0 C--O 1.218 -0.565 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.17 -48.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 121.211 -0.931 . . . . 50.0 109.302 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -66.23 -32.56 74.06 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.814 -0.554 . . . . 25.0 111.85 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -79.98 -38.61 31.85 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 114.038 1.125 . . . . 50.0 114.038 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -107.21 -42.02 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.984 1.476 . . . . 50.0 114.984 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.0 m -74.6 -56.26 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.778 -1.193 . . . . 50.0 107.778 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -73.24 -45.84 53.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.329 -0.85 . . . . 25.0 112.702 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -113.55 -172.5 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.095 0.406 . . . . 50.0 112.095 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.62 131.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.288 -1.375 . . . . 50.0 107.288 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -129.63 161.78 29.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -120.53 167.98 11.83 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 -177.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.62 -31.91 62.68 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.02 -0.536 . . . . 50.0 111.699 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.254 0.55 . . . . 50.0 110.455 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.83 -39.91 66.19 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.379 -0.6 . . . . 50.0 109.379 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mp -57.11 -36.12 70.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.926 0.713 . . . . 50.0 112.926 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.06 -30.91 71.31 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.207 -0.597 . . . . 50.0 111.835 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -71.92 -13.95 61.79 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.788 -0.57 . . . . 50.0 110.213 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.434 . . . . 50.0 110.583 178.251 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 CA--C 1.52 -0.197 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -70.3 126.49 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.254 -1.017 . . . . 50.0 108.254 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -164.76 174.49 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.687 -1.227 . . . . 50.0 107.687 -173.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -74.12 131.21 41.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.066 -1.087 . . . . 50.0 108.066 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -137.54 140.97 41.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 107.431 -1.322 . . . . 50.0 107.431 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.11 167.69 28.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.332 -0.147 . . . . 50.0 110.651 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.29 -139.92 29.17 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 114.581 0.592 . . . . 25.0 114.581 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -28.22 68.87 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.463 -0.434 . . . . 25.0 111.925 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.65 -37.02 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.623 -0.673 . . . . 50.0 110.485 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -44.75 91.85 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.849 -0.426 . . . . 50.0 109.849 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.1 t -60.32 -43.23 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 110.52 -0.178 . . . . 50.0 110.52 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -61.99 -43.74 98.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 122.043 -0.411 . . . . 50.0 110.59 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.29 99.72 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -35.2 80.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 50.0 110.714 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.16 -42.47 84.24 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.123 -0.361 . . . . 25.0 111.101 175.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.79 -41.19 88.02 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.41 -0.806 . . . . 50.0 110.454 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.61 -32.53 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 114.222 1.193 . . . . 50.0 114.222 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -122.94 -42.94 2.26 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.101 1.519 . . . . 50.0 115.101 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.707 0 C-N-CA 120.587 -0.816 . . . . 25.0 113.192 -179.195 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.45 -45.19 89.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.851 -0.53 . . . . 50.0 110.665 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -74.98 -30.67 61.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.635 0.731 . . . . 25.0 110.543 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.01 -40.37 65.25 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.827 -0.546 . . . . 50.0 112.404 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.4 m -105.85 -39.41 6.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.824 1.787 . . . . 50.0 115.824 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -80.7 -53.78 6.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.331 -1.359 . . . . 50.0 107.331 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.8 m -70.21 -45.52 66.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.269 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -116.35 -175.61 2.79 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 122.042 -0.411 . . . . 50.0 111.603 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -88.71 138.66 18.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.608 -1.256 . . . . 50.0 107.608 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.93 159.3 42.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.305 0.574 . . . . 25.0 111.501 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -122.85 164.61 18.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.044 -0.98 . . . . 50.0 109.341 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.24 -30.95 66.94 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.85 -0.614 . . . . 50.0 111.252 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -60.43 -42.6 96.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 50.0 110.71 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -75.92 -38.6 57.51 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.4 -0.593 . . . . 50.0 109.4 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 2.4 mp -54.83 -39.21 68.31 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.291 0.849 . . . . 50.0 113.291 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.68 -31.35 68.13 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.999 -0.68 . . . . 50.0 111.991 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.27 -20.07 62.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.314 -0.866 . . . . 50.0 111.036 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.417 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 83.2 m-85 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.735 0.303 . . . . 50.0 110.322 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.24 0.566 0 N-CA-C 106.771 -1.566 . . . . 25.0 106.771 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -72.74 132.78 44.08 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 107.411 -1.329 . . . . 50.0 107.411 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -165.79 -179.11 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.001 -1.111 . . . . 50.0 108.001 -173.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.45 133.68 35.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.016 -1.105 . . . . 50.0 108.016 171.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.46 137.04 39.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.073 -1.084 . . . . 75.0 108.073 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.48 162.24 39.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.46 -0.57 . . . . 50.0 109.46 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.64 -136.64 17.97 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.969 1.148 . . . . 25.0 115.969 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.8 p -60.63 -30.23 69.74 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.463 -0.434 . . . . 25.0 111.97 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -66.79 -35.93 81.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.964 -0.46 . . . . 50.0 110.463 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -44.13 82.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.702 -0.481 . . . . 50.0 109.702 174.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.9 t -61.7 -40.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 109.757 -0.46 . . . . 50.0 109.757 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -61.14 -44.01 97.99 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 122.078 -0.389 . . . . 50.0 110.645 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.18 99.45 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.224 -0.59 . . . . 25.0 111.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.64 -37.65 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.708 0.289 . . . . 50.0 111.14 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -65.09 -41.62 94.82 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.989 -0.445 . . . . 25.0 110.474 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.49 -41.66 88.6 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.858 -0.526 . . . . 50.0 110.414 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.61 -36.82 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 112.95 0.722 . . . . 50.0 112.95 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -114.84 -39.19 3.76 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 116.348 1.981 . . . . 50.0 116.348 -172.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.232 0 N-CA-C 110.836 -0.906 . . . . 25.0 110.836 -179.522 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -63.98 -44.67 97.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.193 -0.942 . . . . 50.0 109.912 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.68 -12.57 59.81 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.07 -1.019 . . . . 25.0 112.263 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.11 -28.56 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.61 0.967 . . . . 50.0 113.61 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.6 m -114.25 -40.42 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.604 0.965 . . . . 50.0 113.604 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.03 -52.61 12.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.092 -1.077 . . . . 50.0 108.092 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -73.41 -43.87 59.59 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -118.13 -178.28 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.691 -0.631 . . . . 50.0 110.246 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -91.13 132.92 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.748 -1.204 . . . . 50.0 107.748 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -133.47 158.62 42.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -121.66 173.65 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 50.0 110.187 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -56.29 -27.7 56.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.015 0.436 . . . . 50.0 111.831 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.63 -47.58 85.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 50.0 110.607 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -72.4 -39.87 67.62 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.282 -0.636 . . . . 50.0 109.282 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.1 -33.24 71.83 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.438 0.903 . . . . 50.0 113.438 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.72 -33.12 71.21 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.479 -0.888 . . . . 50.0 111.285 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.76 -13.96 60.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.69 -0.631 . . . . 50.0 110.671 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.213 -0.662 . . . . 50.0 109.213 175.019 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.239 0.514 0 CA-C-O 121.736 0.779 . . . . 25.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.39 127.82 33.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.385 -0.825 . . . . 50.0 110.269 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -163.93 176.61 9.26 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.854 -1.535 . . . . 50.0 106.854 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -73.72 132.32 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.323 -1.362 . . . . 50.0 107.323 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.7 mt -135.29 139.6 44.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.479 -0.934 . . . . 50.0 108.479 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.24 162.46 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.423 -0.584 . . . . 50.0 109.423 -177.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.0 -137.93 16.73 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 115.529 0.972 . . . . 25.0 115.529 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -27.96 67.06 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -38.05 82.83 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.55 -0.719 . . . . 50.0 109.726 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.77 -44.78 92.4 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 110.023 -0.362 . . . . 50.0 110.023 174.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.73 -42.23 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.23 -0.441 . . . . 50.0 110.488 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -60.22 -45.63 92.54 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.331 -0.148 . . . . 50.0 110.616 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.74 98.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.526 -0.47 . . . . 25.0 110.766 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.33 -36.15 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 50.0 111.268 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.82 -40.58 88.07 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.171 -0.33 . . . . 25.0 110.672 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.8 mt -67.57 -41.49 84.09 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.546 -0.721 . . . . 50.0 110.157 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 p -79.84 -33.13 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.775 1.028 . . . . 50.0 113.775 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -122.04 -32.86 3.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.435 2.383 . . . . 50.0 117.435 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 179.461 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 121.794 0.807 . . . . 25.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.38 -48.59 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.182 -0.463 . . . . 50.0 112.112 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -79.69 13.33 2.14 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -114.92 -45.55 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 50.0 109.991 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 m -93.83 -35.82 12.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.826 1.417 . . . . 50.0 114.826 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.5 -26.75 38.0 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.444 -0.947 . . . . 50.0 108.444 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.4 m -96.81 -42.92 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.091 0.774 . . . . 25.0 113.091 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -115.81 -177.01 3.06 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.167 -0.333 . . . . 50.0 110.327 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.21 130.13 39.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 107.43 -1.322 . . . . 50.0 107.43 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -128.89 152.49 48.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.771 0.32 . . . . 25.0 110.352 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -121.19 168.73 11.27 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.312 -0.995 . . . . 50.0 108.312 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.56 -33.71 64.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.546 0.689 . . . . 50.0 112.064 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -57.89 -44.19 86.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 50.0 111.031 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -74.96 -41.12 60.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.357 -0.609 . . . . 50.0 109.357 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -52.52 -39.14 61.01 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.139 0.576 . . . . 50.0 111.478 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.77 -31.89 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.817 1.043 . . . . 50.0 113.817 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.17 -19.7 64.0 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.309 -0.869 . . . . 50.0 111.026 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.945 0.402 . . . . 50.0 109.935 -179.107 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.235 0.304 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -76.06 130.56 38.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.854 -0.612 . . . . 50.0 109.579 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -166.13 -179.66 5.24 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.141 -0.689 . . . . 50.0 109.141 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -80.27 79.67 6.81 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.401 0.438 . . . . 50.0 111.241 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -77.13 133.64 38.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 50.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -144.92 162.45 36.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.278 -0.419 . . . . 50.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.44 -136.34 27.07 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -30.26 69.82 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.341 -0.505 . . . . 25.0 111.262 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.44 87.19 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.938 -0.476 . . . . 50.0 109.741 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -43.44 94.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.374 -0.602 . . . . 50.0 109.374 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -41.91 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.901 -0.319 . . . . 50.0 110.357 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.25 -41.61 97.21 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 122.26 -0.275 . . . . 50.0 110.625 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.1 -46.2 88.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.43 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.95 -39.0 87.85 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.904 0.383 . . . . 50.0 110.111 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -65.4 -44.03 88.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.663 -0.244 . . . . 25.0 111.223 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.07 -39.62 78.99 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.1 -0.64 . . . . 50.0 111.826 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -79.49 -34.75 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 112.341 0.497 . . . . 50.0 112.341 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 m -129.97 -35.86 1.6 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 115.196 1.554 . . . . 50.0 115.196 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.871 0 C-N-CA 120.485 -0.864 . . . . 25.0 112.211 -178.139 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.84 -49.91 79.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.563 -0.71 . . . . 50.0 109.39 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.74 -26.18 61.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -87.52 -24.63 24.01 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.959 1.096 . . . . 50.0 113.959 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.7 t -119.83 -40.63 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 114.968 1.47 . . . . 50.0 114.968 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 t -78.18 -55.24 5.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.812 -1.181 . . . . 50.0 107.812 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -72.25 -42.69 65.37 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 m -112.71 -176.75 2.98 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.032 -0.417 . . . . 50.0 111.659 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.05 122.88 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.315 -0.994 . . . . 50.0 108.315 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -107.99 156.36 19.31 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.385 0.612 . . . . 25.0 110.36 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -123.87 159.42 29.67 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.114 -1.439 . . . . 50.0 107.114 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.45 -32.88 63.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.608 0.363 . . . . 50.0 111.91 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.53 -43.96 96.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 50.0 111.902 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -72.46 -37.06 68.61 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.084 -0.71 . . . . 50.0 109.084 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.95 -32.26 70.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.177 -0.609 . . . . 50.0 112.047 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.06 -35.3 73.11 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.851 -0.531 . . . . 50.0 111.226 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.21 -16.89 61.96 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.682 -0.636 . . . . 50.0 110.969 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 50.0 109.941 177.883 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.236 0.355 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -71.74 127.03 31.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.949 -0.569 . . . . 50.0 110.912 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -166.26 177.63 6.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.257 -1.386 . . . . 50.0 107.257 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -75.71 130.42 38.66 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.385 -0.969 . . . . 50.0 108.385 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.7 mt -136.57 140.24 42.75 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.454 -1.313 . . . . 50.0 107.454 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.91 165.78 30.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.65 -138.37 24.59 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.849 0.7 . . . . 25.0 114.849 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -59.54 -27.59 66.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -37.62 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.922 -0.486 . . . . 50.0 110.735 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -47.19 83.96 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.249 -0.648 . . . . 50.0 109.249 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.64 -42.68 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.288 -0.414 . . . . 50.0 110.525 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.77 -43.93 97.4 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 122.038 -0.413 . . . . 50.0 111.851 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.2 95.4 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -36.21 83.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.277 0.56 . . . . 50.0 109.888 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -65.72 -43.31 89.47 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.903 -0.498 . . . . 25.0 110.887 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.51 -41.63 92.94 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.649 -0.657 . . . . 50.0 110.903 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -77.81 -36.74 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.266 0.839 . . . . 50.0 113.266 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 t -122.5 -40.64 2.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.831 1.419 . . . . 50.0 114.831 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.422 0 C-N-CA 120.378 -0.915 . . . . 25.0 112.262 -179.59 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.08 -38.55 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 O-C-N 121.389 -0.82 . . . . 50.0 110.775 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.34 -28.14 61.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.161 0.505 . . . . 25.0 111.303 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.1 -37.88 21.46 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 112.875 0.694 . . . . 50.0 112.875 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -104.71 -42.21 5.45 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.9 1.445 . . . . 50.0 114.9 -174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -76.88 -56.67 4.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 118.664 -1.214 . . . . 50.0 108.357 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -69.18 -43.68 73.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -116.32 -173.2 2.32 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.148 -0.345 . . . . 50.0 111.32 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -93.61 133.51 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.245 -1.391 . . . . 50.0 107.245 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -132.66 160.26 37.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.375 0.607 . . . . 25.0 110.123 175.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -116.07 166.89 11.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.223 -0.899 . . . . 50.0 110.585 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -28.12 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.544 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.68 -44.37 93.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.343 0.592 . . . . 50.0 110.318 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.02 -36.99 69.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.56 -39.56 76.96 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.553 -0.459 . . . . 50.0 111.43 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.09 -30.24 67.95 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.008 0.744 . . . . 50.0 113.008 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -72.52 -18.59 61.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.215 -0.928 . . . . 50.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 122.072 -0.393 . . . . 50.0 110.126 177.163 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.242 0.694 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.97 135.26 44.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.432 -1.321 . . . . 50.0 107.432 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -168.13 177.99 5.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.867 -1.531 . . . . 50.0 106.867 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -78.11 133.75 37.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.35 -1.352 . . . . 50.0 107.35 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -135.21 137.32 42.52 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.924 -1.139 . . . . 50.0 107.924 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.6 162.72 39.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.893 -0.41 . . . . 50.0 109.893 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.46 -138.95 16.63 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 115.716 1.047 . . . . 25.0 115.716 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -28.34 67.1 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.445 -0.378 . . . . 25.0 112.019 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -69.22 -36.41 77.2 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 122.079 -0.388 . . . . 50.0 110.529 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.76 -46.74 86.61 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.563 -0.903 . . . . 50.0 108.563 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.55 -38.47 82.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 120.692 -0.403 . . . . 50.0 110.79 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.7 -43.89 97.64 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.956 -0.465 . . . . 50.0 111.352 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.17 97.73 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.38 -36.82 83.47 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.471 -0.331 . . . . 50.0 110.636 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -65.68 -42.22 91.5 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.718 -0.614 . . . . 25.0 110.578 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.9 -38.6 86.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.281 -0.568 . . . . 50.0 110.857 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -83.83 -33.63 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 114.33 1.233 . . . . 50.0 114.33 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -125.88 -26.94 3.38 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 115.467 1.655 . . . . 50.0 115.467 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.649 0 N-CA-C 109.39 -1.484 . . . . 25.0 109.39 178.068 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 114.251 1.204 . . . . 25.0 114.251 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -65.77 -44.77 93.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.399 -0.964 . . . . 50.0 108.399 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.26 -15.52 60.98 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.101 -0.5 . . . . 25.0 112.305 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -90.38 -39.64 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.147 0.425 . . . . 50.0 112.147 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.03 -40.56 4.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.307 1.225 . . . . 50.0 114.307 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -77.77 -17.08 57.91 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.027 -0.669 . . . . 50.0 109.743 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -106.96 -56.16 2.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.389 -0.368 . . . . 25.0 111.78 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -175.92 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.782 -0.574 . . . . 50.0 111.556 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mm -86.48 133.39 29.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.407 -1.701 . . . . 50.0 106.407 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -133.0 160.62 36.63 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -126.47 175.36 7.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 50.0 109.874 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.33 -32.68 62.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.512 -0.767 . . . . 50.0 111.706 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.73 -48.77 80.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.513 . . . . 50.0 111.363 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.73 -41.49 83.37 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 120.167 -0.613 . . . . 50.0 109.469 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.49 -35.8 72.78 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.907 0.706 . . . . 50.0 112.907 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -61.45 -29.81 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.296 -0.561 . . . . 50.0 111.578 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -71.02 -17.1 62.64 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.432 -0.792 . . . . 50.0 110.485 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 . . . . . 0 C--O 1.223 -0.325 0 CA-C-O 121.217 0.532 . . . . 50.0 109.689 179.06 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.236 0.362 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -78.84 125.66 29.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.425 -0.954 . . . . 50.0 108.425 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -163.07 177.76 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.288 -1.375 . . . . 50.0 107.288 -174.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -76.21 134.38 39.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.087 -1.449 . . . . 50.0 107.087 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.4 mt -138.01 143.25 40.52 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.9 164.5 36.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.579 -0.282 . . . . 50.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.72 -140.08 16.21 Favored Glycine 0 C--O 1.221 -0.662 0 N-CA-C 116.351 1.3 . . . . 25.0 116.351 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -60.14 -26.72 66.5 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.484 -0.421 . . . . 25.0 111.846 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -38.49 81.16 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.874 -0.516 . . . . 50.0 110.17 176.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -44.67 94.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.071 -0.714 . . . . 50.0 109.071 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.96 -43.24 97.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.312 -0.403 . . . . 50.0 110.162 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.58 -45.15 95.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 118.149 0.431 . . . . 50.0 110.67 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.781 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.863 0.363 . . . . 50.0 111.32 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.79 -40.04 83.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.286 -0.258 . . . . 25.0 110.811 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -68.85 -38.52 79.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.056 -0.403 . . . . 50.0 111.307 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.55 -34.05 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.318 0.859 . . . . 50.0 113.318 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 t -131.08 -23.71 2.43 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 116.74 2.126 . . . . 50.0 116.74 -172.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.875 0 C-N-CA 120.46 -0.876 . . . . 25.0 111.796 -179.457 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.79 -44.51 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 O-C-N 121.901 -0.5 . . . . 50.0 111.102 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.71 -30.84 68.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.404 0.621 . . . . 25.0 111.273 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -77.4 -41.63 39.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.732 -0.667 . . . . 50.0 112.76 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.8 m -106.99 -38.48 6.02 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 116.158 1.91 . . . . 50.0 116.158 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -80.31 -53.1 6.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.75 -1.574 . . . . 50.0 106.75 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 m -72.26 -42.7 65.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.105 -0.952 . . . . 25.0 112.441 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -118.22 -173.17 2.4 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 120.7 0.286 . . . . 50.0 111.269 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.8 mm -94.94 133.44 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.56 -1.274 . . . . 50.0 107.56 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -135.17 160.5 38.17 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -127.29 177.39 6.74 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.587 -0.523 . . . . 50.0 109.587 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -30.96 64.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.665 0.386 . . . . 50.0 111.69 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -60.78 -46.29 91.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.365 0.602 . . . . 50.0 110.342 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -71.08 -42.85 68.84 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 107.694 -1.224 . . . . 50.0 107.694 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.4 -36.75 69.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.4 1.259 . . . . 50.0 114.4 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.34 -30.82 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.287 0.477 . . . . 50.0 112.287 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -70.47 -15.6 62.83 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.849 -0.532 . . . . 50.0 111.096 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.521 0.677 . . . . 50.0 109.941 178.197 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -79.39 132.33 36.37 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.296 -1.002 . . . . 50.0 108.296 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -166.46 177.39 6.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.669 -1.604 . . . . 50.0 106.669 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -73.92 132.78 42.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.143 -1.058 . . . . 50.0 108.143 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.9 mt -135.12 131.85 37.37 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.568 -1.271 . . . . 50.0 107.568 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -144.78 161.9 38.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.726 . . . . 50.0 109.038 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.4 -136.94 21.17 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 116.141 1.216 . . . . 25.0 116.141 177.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -61.17 -29.71 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.483 -0.358 . . . . 25.0 111.784 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -41.44 97.91 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.66 -0.496 . . . . 50.0 109.66 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -44.97 88.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.441 -0.345 . . . . 50.0 110.389 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.77 -41.79 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 121.011 -0.276 . . . . 50.0 110.28 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -62.55 -41.21 98.76 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 122.012 -0.43 . . . . 50.0 111.544 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.32 93.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.661 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.16 -36.86 83.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.611 0.569 . . . . 50.0 110.998 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -66.13 -41.09 90.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.097 0.475 . . . . 25.0 111.698 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.61 -39.89 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.57 -0.706 . . . . 50.0 111.945 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.56 -36.83 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.566 0.58 . . . . 50.0 112.566 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.83 -26.63 2.18 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 117.494 2.405 . . . . 50.0 117.494 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.546 0 C-N-CA 120.167 -1.016 . . . . 25.0 110.931 -177.737 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 112.305 0.483 . . . . 25.0 112.305 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.13 -46.98 86.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 121.656 -0.653 . . . . 50.0 110.474 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -72.01 -31.33 66.1 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.338 -0.851 . . . . 25.0 111.722 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -37.35 60.36 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.66 0.615 . . . . 50.0 112.66 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.1 m -111.51 -40.72 4.28 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 116.263 1.949 . . . . 50.0 116.263 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.1 m -74.91 -52.21 11.85 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.873 -1.899 . . . . 50.0 105.873 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -75.86 -43.6 44.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -116.08 -176.1 2.88 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.353 0.871 . . . . 50.0 113.353 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -91.41 130.72 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.504 -1.295 . . . . 50.0 107.504 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -129.7 155.6 45.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 m -118.45 162.52 18.19 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.874 -1.057 . . . . 50.0 109.879 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -33.99 58.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.612 -0.722 . . . . 50.0 111.759 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -58.83 -45.91 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.572 . . . . 50.0 111.956 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -76.26 -34.52 59.15 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 119.483 -0.887 . . . . 50.0 109.568 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mp -54.95 -38.23 67.46 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.679 0.622 . . . . 50.0 112.679 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -53.62 -36.5 62.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.994 0.368 . . . . 50.0 111.994 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -67.99 -25.94 65.66 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.584 -0.697 . . . . 50.0 111.145 -177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 . . . . . 0 C--O 1.219 -0.528 0 N-CA-C 110.075 -0.343 . . . . 50.0 110.075 -179.842 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.236 0.379 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.92 136.28 43.31 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.352 -0.981 . . . . 50.0 108.352 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -167.9 178.69 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.245 -1.391 . . . . 50.0 107.245 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -77.54 134.89 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.162 -1.422 . . . . 50.0 107.162 171.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.9 mt -136.58 136.85 39.59 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.292 -1.003 . . . . 50.0 108.292 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -153.64 164.39 38.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.488 -0.56 . . . . 50.0 109.488 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.73 29.96 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 114.621 0.608 . . . . 25.0 114.621 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -30.27 69.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.587 -0.307 . . . . 25.0 111.528 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -64.21 -38.55 91.46 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.056 -0.403 . . . . 50.0 110.586 175.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -42.86 90.94 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.689 -0.485 . . . . 50.0 109.689 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.3 -43.5 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-O 120.79 0.329 . . . . 50.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -59.97 -44.28 94.57 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.842 0.353 . . . . 50.0 110.589 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.23 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 25.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.24 -37.72 88.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.466 . . . . 50.0 110.898 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -66.28 -40.86 90.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.009 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.2 -41.6 85.55 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.7 -0.625 . . . . 50.0 110.79 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.61 -33.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.376 0.88 . . . . 50.0 113.376 -177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.44 -34.21 2.72 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.939 1.829 . . . . 50.0 115.939 -175.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -1.014 0 C-N-CA 120.344 -0.932 . . . . 25.0 112.413 -178.653 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.471 0.581 0 N-CA-C 112.627 0.603 . . . . 25.0 112.627 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.1 t -67.03 -43.0 89.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 121.866 -0.521 . . . . 50.0 109.802 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.92 -36.66 72.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.011 0.91 . . . . 25.0 109.62 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -67.03 -42.57 84.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.595 -0.73 . . . . 50.0 112.693 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -110.24 -35.26 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 116.071 1.878 . . . . 50.0 116.071 -173.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.74 -51.2 8.93 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.52 -1.659 . . . . 50.0 106.52 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -72.65 -48.86 35.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.686 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -114.24 -176.13 2.83 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.534 -0.729 . . . . 50.0 111.993 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.51 132.62 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.035 -1.469 . . . . 50.0 107.035 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.47 164.35 21.33 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -129.95 164.48 24.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.94 -33.7 64.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.103 0.477 . . . . 50.0 112.209 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.31 -45.26 91.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 50.0 110.948 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.0 -41.05 74.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.269 -0.641 . . . . 50.0 109.269 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.76 -35.85 69.12 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.366 0.876 . . . . 50.0 113.366 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HB2' ' HE2' ' A' ' 17' ' ' GLU . 88.0 mt-10 -56.83 -33.08 66.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.193 0.442 . . . . 50.0 112.193 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -67.82 -18.72 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.532 -0.73 . . . . 50.0 111.401 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.65 -0.25 . . . . 50.0 111.127 -178.698 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.234 0.25 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -75.05 127.6 33.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.64 . . . . 50.0 109.76 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -164.27 177.58 8.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.098 -1.445 . . . . 50.0 107.098 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -77.37 136.14 38.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.884 -1.154 . . . . 50.0 107.884 172.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -137.77 139.04 39.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 164.7 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.02 -140.98 21.54 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 116.267 1.267 . . . . 25.0 116.267 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 p -60.52 -31.4 70.48 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.345 -0.428 . . . . 25.0 111.106 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -37.62 88.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.911 -0.493 . . . . 50.0 110.955 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -45.34 84.61 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.55 -0.537 . . . . 50.0 109.55 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.68 -42.08 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 109.731 -0.47 . . . . 50.0 109.731 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.17 -44.45 96.57 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 122.426 -0.171 . . . . 50.0 111.185 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.01 99.55 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.017 -0.427 . . . . 25.0 110.787 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.76 -38.46 90.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 50.0 110.994 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -65.19 -40.4 94.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.843 -0.535 . . . . 25.0 111.047 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.511 -0.743 . . . . 50.0 110.853 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -78.86 -35.95 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 50.0 113.311 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 m -120.26 -38.4 2.92 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 116.961 2.208 . . . . 50.0 116.961 -175.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 C-N-CA 120.462 -0.875 . . . . 25.0 112.14 -178.437 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.463 0.649 . . . . 25.0 112.624 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.32 -46.66 89.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.137 -0.977 . . . . 50.0 110.444 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.2 -27.76 64.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.077 0.465 . . . . 25.0 111.12 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.44 -30.45 17.34 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 114.056 1.132 . . . . 50.0 114.056 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.7 m -109.78 -37.34 5.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.564 1.69 . . . . 50.0 115.564 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -79.78 -54.99 5.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.365 -1.717 . . . . 50.0 106.365 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -70.58 -44.56 67.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.598 -0.728 . . . . 25.0 112.529 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -114.69 -176.98 3.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.033 0.444 . . . . 50.0 112.027 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -91.54 132.4 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.082 -1.451 . . . . 50.0 107.082 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -129.51 150.99 50.61 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.1 t -110.1 161.78 15.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.951 -1.129 . . . . 50.0 107.951 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -55.01 -34.04 63.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.44 0.638 . . . . 50.0 111.161 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 50.0 111.575 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -78.71 -37.06 42.47 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.171 -0.442 . . . . 50.0 110.829 176.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.77 -37.47 63.48 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.557 0.617 . . . . 50.0 109.838 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.89 -33.35 68.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.276 0.843 . . . . 50.0 113.276 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.66 -20.8 65.35 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.854 -0.529 . . . . 50.0 111.214 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.218 -0.583 0 CA-C-O 120.868 0.366 . . . . 50.0 110.872 -179.631 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -73.29 125.29 27.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.021 -1.103 . . . . 50.0 108.021 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -164.21 176.81 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.13 -1.063 . . . . 50.0 108.13 -171.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -74.48 132.0 41.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.579 -0.897 . . . . 50.0 108.579 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -139.12 138.47 37.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.732 -0.84 . . . . 50.0 108.732 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.67 168.62 23.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.876 -0.416 . . . . 50.0 109.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.49 -141.9 37.77 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-O 122.406 1.004 . . . . 25.0 115.283 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -28.2 69.05 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 114.754 -0.723 . . . . 25.0 111.448 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -68.35 -36.91 79.94 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.612 -0.68 . . . . 50.0 109.86 176.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -44.28 92.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.147 -0.316 . . . . 50.0 110.147 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.6 -43.23 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.55 -44.73 89.77 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 122.131 -0.356 . . . . 50.0 110.733 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.48 89.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.582 -0.447 . . . . 25.0 110.269 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -36.22 82.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.262 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.38 -40.99 85.72 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.165 -0.334 . . . . 25.0 110.902 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -66.58 -41.73 88.07 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.651 -0.656 . . . . 50.0 110.899 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.82 -33.79 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 N-CA-C 113.349 0.87 . . . . 50.0 113.349 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.98 -32.64 2.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 116.016 1.858 . . . . 50.0 116.016 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.237 -0.982 . . . . 25.0 112.825 -177.516 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.04 0.385 . . . . 25.0 112.04 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.26 -45.05 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 121.406 -0.809 . . . . 50.0 109.015 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.26 -21.4 61.38 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 121.61 0.719 . . . . 25.0 112.523 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -90.68 -36.07 14.57 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.065 0.765 . . . . 50.0 113.065 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.7 m -109.32 -41.07 4.74 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.407 1.262 . . . . 50.0 114.407 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.0 -51.67 20.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.298 -1.371 . . . . 50.0 107.298 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m -75.37 -43.53 49.85 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -117.5 -176.05 2.94 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.434 0.901 . . . . 50.0 113.434 -174.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mm -91.28 131.36 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.242 -1.392 . . . . 50.0 107.242 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.99 156.9 48.24 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -116.35 173.21 6.72 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.985 -0.746 . . . . 50.0 108.985 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -56.83 -30.73 64.04 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.813 -0.63 . . . . 50.0 111.428 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.01 -47.58 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 50.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.38 -39.81 81.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.12 -36.78 73.43 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.863 -0.523 . . . . 50.0 112.229 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.69 -30.21 68.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.882 -0.58 . . . . 50.0 111.836 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -68.47 -20.68 64.62 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.649 0.738 . . . . 50.0 110.994 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.287 -0.869 . . . . 50.0 110.779 179.78 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 107.435 -1.32 . . . . 25.0 107.435 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -74.7 129.21 37.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.255 0.55 . . . . 50.0 109.704 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -164.96 177.04 8.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 107.287 -1.375 . . . . 50.0 107.287 -172.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -74.34 133.36 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.077 -1.453 . . . . 50.0 107.077 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 32.1 mt -134.64 136.15 42.65 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.422 -0.955 . . . . 50.0 108.422 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.33 163.82 37.36 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.54 -139.03 12.55 Favored Glycine 0 N--CA 1.463 0.5 0 N-CA-C 115.952 1.141 . . . . 25.0 115.952 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -27.9 68.36 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.974 -0.721 . . . . 25.0 111.316 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -67.48 -37.86 83.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.367 -0.833 . . . . 50.0 110.754 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -44.81 92.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.576 -0.898 . . . . 50.0 108.576 174.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.66 -43.75 97.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.056 -0.35 . . . . 50.0 110.056 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.89 -45.05 91.17 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.785 -0.572 . . . . 50.0 111.026 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.61 98.72 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.744 -0.383 . . . . 25.0 110.397 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.88 -36.59 84.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.222 0.534 . . . . 50.0 112.222 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -68.17 -41.72 81.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.455 -0.338 . . . . 25.0 110.22 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.21 -41.31 86.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.831 -0.543 . . . . 50.0 110.487 -177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.05 -33.46 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.761 -0.776 . . . . 50.0 112.893 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 t -124.69 -33.46 2.97 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 116.715 2.116 . . . . 50.0 116.715 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.661 0 C-N-CA 120.427 -0.892 . . . . 25.0 111.831 -179.741 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 C--O 1.224 -0.259 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.94 -46.4 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -68.98 -26.24 64.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.937 -0.477 . . . . 25.0 111.572 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -79.57 -42.42 25.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.548 0.573 . . . . 50.0 112.548 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.53 -35.72 5.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 116.323 1.971 . . . . 50.0 116.323 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.36 -48.0 16.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.471 -1.677 . . . . 50.0 106.471 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 m -72.17 -44.76 62.55 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -125.37 -176.88 3.71 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.553 -0.717 . . . . 50.0 112.58 -176.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.26 134.11 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.62 -1.622 . . . . 50.0 106.62 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -131.93 154.98 48.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -118.81 164.27 15.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.828 -0.624 . . . . 50.0 109.425 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -33.96 55.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 50.0 112.415 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.17 -39.26 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.423 -0.808 . . . . 50.0 111.394 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.86 -38.87 24.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 50.0 109.734 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.29 -37.78 65.16 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.774 -0.648 . . . . 50.0 111.881 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.87 -34.13 67.55 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.14 0.793 . . . . 50.0 113.14 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.6 -16.08 62.28 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.852 -0.53 . . . . 50.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.988 -0.375 . . . . 50.0 109.988 177.427 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--O 1.242 0.686 0 N-CA-C 108.441 -0.948 . . . . 25.0 108.441 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -71.77 121.12 18.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.955 -1.128 . . . . 50.0 107.955 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -161.16 177.53 10.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.53 -1.285 . . . . 50.0 107.53 -171.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.08 132.29 43.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.757 -1.201 . . . . 50.0 107.757 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -137.44 138.88 40.25 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.198 -1.038 . . . . 50.0 108.198 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -152.26 167.22 29.32 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -140.84 28.07 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 115.743 1.057 . . . . 25.0 115.743 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -61.38 -29.01 69.65 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.711 -0.288 . . . . 25.0 111.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -65.22 -38.81 91.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.473 -0.767 . . . . 50.0 110.78 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -45.48 89.21 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.871 -0.418 . . . . 50.0 109.871 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.05 -42.88 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.69 -0.485 . . . . 50.0 109.69 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.77 -42.77 99.41 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.521 -0.112 . . . . 50.0 110.74 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.76 95.68 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.282 -0.567 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -38.57 90.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.521 0.677 . . . . 50.0 109.658 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -67.48 -41.77 84.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 25.0 112.17 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.07 -38.54 82.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.545 -0.722 . . . . 50.0 110.796 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.53 -38.56 22.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.096 -0.642 . . . . 50.0 112.29 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.8 t -125.88 -30.22 3.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.532 2.049 . . . . 50.0 116.532 -173.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.858 0 C-N-CA 120.031 -1.081 . . . . 25.0 111.732 -179.339 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.82 -49.66 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 121.219 -0.926 . . . . 50.0 111.934 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -73.68 -16.78 61.19 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.267 -0.895 . . . . 25.0 111.43 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -83.86 -49.64 8.85 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 121.881 -0.512 . . . . 50.0 111.747 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -106.02 -21.9 13.02 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.281 1.586 . . . . 50.0 115.281 -169.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -86.81 -50.22 6.88 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.77 -1.567 . . . . 50.0 106.77 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.0 m -72.25 -45.89 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.631 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -114.36 -171.61 1.95 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.5 -0.556 . . . . 50.0 109.5 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 mm -95.92 133.51 36.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 C-N-CA 123.455 0.702 . . . . 50.0 110.591 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -121.28 146.82 46.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 25.0 110.401 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -106.29 168.4 9.17 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 50.0 108.462 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.88 -30.77 62.07 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.66 0.743 . . . . 50.0 111.901 177.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.42 -47.0 87.14 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.543 -0.753 . . . . 50.0 111.308 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -72.34 -38.66 68.55 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.91 -0.774 . . . . 50.0 108.91 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.27 -35.86 67.93 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.836 0.289 . . . . 50.0 111.741 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.73 -28.3 69.33 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.084 0.772 . . . . 50.0 113.084 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -67.72 -13.16 61.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.317 -0.864 . . . . 50.0 110.559 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 122.303 -0.248 . . . . 50.0 110.813 -178.353 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.4 t . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -72.59 131.02 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.796 -1.187 . . . . 50.0 107.796 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -166.83 -179.6 4.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.439 -0.948 . . . . 50.0 108.439 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.3 131.95 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 105.798 -1.927 . . . . 50.0 105.798 172.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.8 mt -132.49 137.49 47.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.295 -1.372 . . . . 50.0 107.295 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.25 159.9 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.254 -0.43 . . . . 50.0 109.915 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -134.42 17.69 Favored Glycine 0 N--CA 1.466 0.691 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -30.67 69.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.039 -0.58 . . . . 25.0 111.806 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.17 -34.51 76.44 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.089 -1.007 . . . . 50.0 110.967 176.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -43.15 90.01 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 175.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.41 -41.91 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.2 -0.455 . . . . 50.0 110.263 178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.81 -44.28 94.06 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 122.238 -0.289 . . . . 50.0 111.125 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.15 95.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.066 -0.396 . . . . 25.0 110.743 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -34.14 77.58 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.597 0.237 . . . . 50.0 111.293 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -68.37 -44.37 75.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.653 -0.419 . . . . 25.0 110.766 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.634 0.731 . . . . 50.0 110.209 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -82.56 -32.81 10.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 114.501 1.297 . . . . 50.0 114.501 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -123.73 -34.18 3.07 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.184 1.92 . . . . 50.0 116.184 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.397 0 C-N-CA 120.218 -0.991 . . . . 25.0 111.449 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 CA--C 1.548 0.887 0 CA-C-O 120.745 0.307 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.28 -43.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.196 -0.315 . . . . 50.0 111.17 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -70.05 -28.14 65.21 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.211 -0.931 . . . . 25.0 111.469 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.35 -33.69 20.48 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 113.102 0.778 . . . . 50.0 113.102 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.8 m -106.43 -35.52 7.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.5 1.667 . . . . 50.0 115.5 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -80.95 -53.23 6.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.447 -0.946 . . . . 50.0 108.447 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.9 m -71.49 -46.44 59.81 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.7 p -114.2 -177.2 3.07 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 122.148 -0.345 . . . . 50.0 110.546 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.2 mm -91.44 133.71 32.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.206 -1.405 . . . . 50.0 107.206 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.08 155.63 44.08 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -122.14 164.97 16.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.248 -0.887 . . . . 50.0 109.357 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.44 -34.81 62.12 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.462 0.648 . . . . 50.0 112.303 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.372 0.669 . . . . 50.0 111.491 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -80.97 -38.86 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.697 -0.401 . . . . 50.0 110.399 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -52.01 -39.36 59.37 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.824 0.45 . . . . 50.0 111.921 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.9 -30.76 66.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.449 1.278 . . . . 50.0 114.449 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -68.28 -19.75 64.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.617 0.723 . . . . 50.0 111.275 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 121.021 0.439 . . . . 50.0 110.236 -179.777 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -74.89 124.07 26.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.71 -1.219 . . . . 50.0 107.71 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -162.05 178.22 9.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.526 -1.287 . . . . 50.0 107.526 -173.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -74.52 116.95 15.78 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.493 -1.299 . . . . 50.0 107.493 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 mt -119.97 136.33 54.58 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.157 -1.053 . . . . 50.0 108.157 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.45 164.61 36.37 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.987 -0.551 . . . . 50.0 110.541 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.14 -136.09 30.67 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 115.604 1.002 . . . . 25.0 115.604 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -62.65 -29.35 70.56 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.506 -0.409 . . . . 25.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.94 -37.16 83.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.64 -0.663 . . . . 50.0 110.774 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -45.29 85.51 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.494 -0.558 . . . . 50.0 109.494 174.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.79 -42.78 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.915 -0.402 . . . . 50.0 109.915 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -61.13 -42.23 98.16 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 112.249 0.463 . . . . 50.0 112.249 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.901 -0.499 . . . . 25.0 109.953 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -36.06 82.49 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.509 0.506 . . . . 50.0 110.316 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -67.95 -42.53 80.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.86 -41.57 82.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.618 0.723 . . . . 50.0 110.732 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 p -79.17 -35.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 50.0 112.457 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 -22.97 1.63 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 117.701 2.482 . . . . 50.0 117.701 -173.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 109.935 -1.266 . . . . 25.0 109.935 -178.035 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.558 0.218 . . . . 25.0 111.515 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.35 -45.83 97.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.039 -0.413 . . . . 50.0 110.32 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -71.04 -28.83 64.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.383 -0.823 . . . . 25.0 111.075 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -76.04 -37.98 57.7 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.228 0.825 . . . . 50.0 113.228 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.2 m -118.78 -34.94 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 115.618 1.71 . . . . 50.0 115.618 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -80.61 -20.81 42.37 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 108.512 -0.922 . . . . 50.0 108.512 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -108.71 -50.19 3.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.934 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -112.97 -175.02 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.129 -0.357 . . . . 50.0 110.243 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mm -92.72 133.3 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 107.411 -1.329 . . . . 50.0 107.411 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -127.91 152.55 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.222 0.534 . . . . 25.0 109.921 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -118.76 162.17 18.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.121 -0.945 . . . . 50.0 109.01 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -52.6 -33.11 44.81 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.514 0.931 . . . . 50.0 113.514 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -57.83 -46.2 85.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.474 -0.784 . . . . 50.0 111.166 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -73.78 -39.79 63.91 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.72 -0.392 . . . . 50.0 110.06 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.94 -36.66 60.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.959 0.355 . . . . 50.0 111.959 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.46 -31.24 67.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.731 1.011 . . . . 50.0 113.731 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.12 -16.07 63.57 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.899 -0.5 . . . . 50.0 110.793 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 50.0 110.252 179.471 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.239 0.524 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.09 125.32 28.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.646 -0.872 . . . . 50.0 108.646 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -166.55 176.54 7.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.748 -1.945 . . . . 50.0 105.748 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.13 131.28 41.15 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.787 -1.19 . . . . 50.0 107.787 173.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -135.47 141.73 45.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.101 -1.074 . . . . 50.0 108.101 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.92 168.57 25.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.818 -0.808 . . . . 50.0 108.818 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.6 -142.61 19.76 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.283 0.873 . . . . 25.0 115.283 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.69 -29.27 66.5 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.349 -0.425 . . . . 25.0 111.498 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -36.49 81.63 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 121.961 -0.462 . . . . 50.0 110.542 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -43.91 84.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.32 -0.622 . . . . 50.0 109.32 174.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.37 -41.91 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 109.876 -0.416 . . . . 50.0 109.876 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -60.58 -45.39 94.14 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 122.347 0.259 . . . . 50.0 111.232 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -46.63 89.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.441 -0.504 . . . . 25.0 111.088 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -36.14 82.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.088 0.471 . . . . 50.0 109.864 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -69.82 -41.77 74.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.667 -0.646 . . . . 25.0 111.411 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.36 -37.51 85.48 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.687 -0.633 . . . . 50.0 111.287 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.15 -37.84 17.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.106 -0.638 . . . . 50.0 112.29 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.0 t -124.86 -40.55 2.18 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 116.847 2.166 . . . . 50.0 116.847 -174.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.755 0 C-N-CA 120.015 -1.088 . . . . 25.0 113.552 -178.014 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 112.001 0.371 . . . . 25.0 112.001 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.65 -30.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.393 -0.817 . . . . 50.0 111.336 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -78.77 -17.77 55.25 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.5 -0.75 . . . . 25.0 111.359 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -96.81 -34.15 11.4 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.271 0.471 . . . . 50.0 112.271 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -101.71 -33.55 9.82 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 115.329 1.603 . . . . 50.0 115.329 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -88.87 -49.69 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.45 -0.944 . . . . 50.0 108.45 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -68.16 -45.78 72.57 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -118.36 -174.07 2.59 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 50.0 109.281 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -96.09 137.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.358 -0.979 . . . . 50.0 108.358 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t -124.3 175.7 6.91 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.855 -0.794 . . . . 50.0 108.855 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -29.69 64.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.591 0.589 . . . . 50.0 112.591 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -63.99 -44.73 91.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.778 0.799 . . . . 50.0 110.394 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -71.0 -41.51 70.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.363 -0.977 . . . . 50.0 108.363 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.1 -40.89 70.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.607 0.242 . . . . 50.0 111.632 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -29.52 68.83 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.945 0.72 . . . . 50.0 112.945 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -71.49 -17.26 62.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.928 -0.482 . . . . 50.0 110.808 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.63 -0.507 . . . . 50.0 109.63 178.45 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 CA--C 1.516 -0.334 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -75.05 127.72 33.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.73 -1.582 . . . . 50.0 106.73 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -164.04 179.75 6.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.22 -1.77 . . . . 50.0 106.22 -172.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -76.9 108.26 9.82 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.117 -1.438 . . . . 50.0 107.117 173.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.04 131.44 53.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.834 -0.802 . . . . 50.0 108.834 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.1 161.95 36.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.718 -0.673 . . . . 50.0 109.925 -176.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -137.14 15.19 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -61.34 -28.84 69.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.319 -0.44 . . . . 25.0 111.828 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -66.44 -37.59 85.52 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.684 -0.635 . . . . 50.0 110.225 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -44.76 85.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.778 -0.452 . . . . 50.0 109.778 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.41 -40.86 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 120.709 -0.396 . . . . 50.0 110.06 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.65 -44.76 93.42 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.152 -0.343 . . . . 50.0 110.796 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.77 98.25 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.267 -0.573 . . . . 25.0 110.447 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.52 84.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.797 0.332 . . . . 50.0 110.428 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.16 -44.06 85.15 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.008 -0.433 . . . . 25.0 111.181 175.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.78 -41.48 87.59 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.668 -0.645 . . . . 50.0 110.456 -176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.37 -33.43 15.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 113.444 0.905 . . . . 50.0 113.444 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.4 -26.92 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 117.742 2.497 . . . . 50.0 117.742 -174.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.074 0 N-CA-C 110.243 -1.143 . . . . 25.0 110.243 178.206 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 tt . . . . . 0 C--O 1.222 -0.348 0 CA-C-O 121.559 0.695 . . . . 25.0 112.357 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -61.1 -42.87 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 O-C-N 121.438 -0.788 . . . . 50.0 111.396 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -79.75 -17.38 53.63 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.221 -0.924 . . . . 25.0 111.924 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -38.97 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.638 0.607 . . . . 50.0 112.638 177.292 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -106.99 -37.6 6.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 114.866 1.432 . . . . 50.0 114.866 -176.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -75.87 -54.29 7.13 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.875 -1.13 . . . . 50.0 108.172 179.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -70.45 -43.19 70.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.323 0.86 . . . . 25.0 113.323 -178.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -117.43 -174.87 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.65 -0.656 . . . . 50.0 111.928 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -93.45 132.43 37.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.92 -1.511 . . . . 50.0 106.92 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -134.7 161.86 33.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 176.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 m -125.78 174.9 8.0 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 121.191 0.519 . . . . 50.0 110.558 -177.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -29.94 66.39 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.173 0.511 . . . . 50.0 111.823 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.358 0.599 . . . . 50.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.99 -41.28 71.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.533 -0.914 . . . . 50.0 108.533 177.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.67 -33.05 69.7 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.639 0.977 . . . . 50.0 113.639 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.94 -33.53 68.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 118.709 0.686 . . . . 50.0 112.529 175.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -70.19 -20.9 63.09 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.721 -0.612 . . . . 50.0 110.358 -178.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 120.944 0.402 . . . . 50.0 111.001 178.941 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 C--O 1.239 0.538 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.52 119.59 22.03 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 107.768 -1.197 . . . . 50.0 107.768 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -162.38 177.5 9.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.74 -1.948 . . . . 50.0 105.74 -175.275 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -70.27 129.07 38.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.876 -1.157 . . . . 50.0 107.876 175.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt -133.35 133.15 42.12 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 107.763 -1.199 . . . . 50.0 107.763 -175.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.12 164.17 35.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.557 -0.905 . . . . 50.0 108.557 -176.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.54 -136.88 31.41 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 115.441 0.937 . . . . 25.0 115.441 175.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.8 p -60.9 -30.29 70.09 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.339 -0.506 . . . . 25.0 112.168 178.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -38.22 86.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.728 -0.608 . . . . 50.0 110.044 177.31 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -45.66 87.01 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.552 -0.294 . . . . 50.0 110.49 174.452 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.51 -44.21 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.949 -0.389 . . . . 50.0 109.949 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.13 -45.53 90.68 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 121.331 -0.855 . . . . 50.0 112.001 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.21 95.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.399 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -37.02 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.035 0.445 . . . . 50.0 110.582 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.52 -39.27 85.09 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 122.059 -0.401 . . . . 25.0 110.753 177.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.01 -41.45 82.18 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.163 -0.961 . . . . 50.0 110.157 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.95 -36.7 25.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.278 0.844 . . . . 50.0 113.278 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.94 -34.96 2.73 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.58 2.067 . . . . 50.0 116.58 -174.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 C-N-CA 119.653 -1.261 . . . . 25.0 111.791 -179.198 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.98 -46.48 91.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 121.01 -0.276 . . . . 50.0 110.92 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.54 -25.24 53.9 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 120.799 -1.188 . . . . 25.0 110.928 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.67 -42.45 74.16 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.345 -0.222 . . . . 50.0 111.426 178.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -110.4 -39.43 4.94 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.983 1.846 . . . . 50.0 115.983 -174.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.59 -26.59 45.51 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.75 -0.833 . . . . 50.0 108.75 -176.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -100.23 -53.5 3.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.352 0.408 . . . . 25.0 111.104 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -106.93 -172.97 2.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.985 0.421 . . . . 50.0 111.16 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -89.92 138.58 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.244 -1.391 . . . . 50.0 107.244 177.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -132.61 150.75 52.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.368 0.604 . . . . 25.0 110.358 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.4 p -115.32 166.13 12.2 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.035 -0.53 . . . . 50.0 110.64 -175.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -36.82 66.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.56 0.695 . . . . 50.0 111.54 178.136 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.42 -40.79 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.97 0.891 . . . . 50.0 110.791 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -79.76 -40.33 28.98 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.561 -0.712 . . . . 50.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.8 -34.73 67.95 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.728 0.411 . . . . 50.0 111.506 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.44 -28.36 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.136 0.791 . . . . 50.0 113.136 177.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -71.41 -13.15 61.75 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.18 0.514 . . . . 50.0 111.005 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 121.477 0.656 . . . . 50.0 110.257 178.843 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 C--O 1.235 0.322 0 N-CA-C 107.583 -1.266 . . . . 25.0 107.583 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -76.11 130.56 38.49 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.622 -0.881 . . . . 50.0 108.622 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -170.4 -178.37 2.7 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.05 -1.463 . . . . 50.0 107.05 -172.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -80.81 134.01 35.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.86 -1.533 . . . . 50.0 106.86 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mt -141.41 140.75 33.71 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 -177.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t -154.16 167.85 28.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 119.306 -0.378 . . . . 50.0 110.153 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.07 -142.82 30.83 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-O 122.265 0.925 . . . . 25.0 113.377 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -62.21 -24.99 67.54 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.361 -0.494 . . . . 25.0 111.397 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -69.87 -33.93 72.9 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 120.835 -1.166 . . . . 50.0 110.085 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -43.37 82.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 173.257 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.77 -41.31 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 178.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.82 -41.93 99.51 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 121.956 0.102 . . . . 50.0 111.002 178.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.23 89.88 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.77 -0.581 . . . . 25.0 110.803 178.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -36.94 81.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.093 0.473 . . . . 50.0 109.938 177.335 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.93 -42.31 81.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.757 -0.589 . . . . 25.0 111.574 176.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 -39.7 89.98 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.303 -0.873 . . . . 50.0 110.714 -177.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.36 -33.43 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 113.432 0.901 . . . . 50.0 113.432 -179.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.53 -22.42 1.93 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 117.518 2.414 . . . . 50.0 117.518 -172.45 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.567 0 C-N-CA 119.771 -1.204 . . . . 25.0 111.582 176.77 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 tp . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 121.226 0.536 . . . . 25.0 112.304 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -69.83 -40.12 78.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.557 -0.534 . . . . 50.0 109.557 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.19 -3.21 41.46 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.57 0.581 . . . . 25.0 112.57 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -98.97 -54.32 3.02 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 108.88 -0.785 . . . . 50.0 108.88 171.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -84.11 -38.47 20.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 116.753 2.131 . . . . 50.0 116.753 -174.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.0 -13.24 53.77 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.41 -0.806 . . . . 50.0 109.212 -177.108 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 m -103.95 -45.03 4.87 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.361 0.601 . . . . 25.0 111.827 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -124.91 -172.82 2.66 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.334 -0.394 . . . . 50.0 110.377 -177.219 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.28 136.56 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.502 -1.666 . . . . 50.0 106.502 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -132.1 146.73 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.067 0.46 . . . . 25.0 110.434 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.8 m -113.13 160.82 17.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.044 -0.98 . . . . 50.0 109.13 -178.067 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -56.59 -31.45 64.27 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.957 0.725 . . . . 50.0 112.957 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.73 -45.48 94.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.857 0.837 . . . . 50.0 110.372 179.111 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.21 -39.4 68.59 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.344 -0.984 . . . . 50.0 108.344 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.47 -37.57 65.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 112.5 0.556 . . . . 50.0 112.5 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.17 -28.71 59.14 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 114.082 1.141 . . . . 50.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -70.21 -20.45 63.1 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 120.117 -0.633 . . . . 50.0 110.546 -178.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 CA--C 1.514 -0.426 0 CA-C-O 121.337 0.589 . . . . 50.0 110.81 -179.461 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.249 1.027 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -74.59 117.94 16.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.753 -0.832 . . . . 50.0 108.753 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -157.83 -179.78 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.934 -1.136 . . . . 50.0 107.934 -172.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -75.52 105.18 6.42 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.093 -1.077 . . . . 50.0 108.093 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.4 mt -103.26 137.52 41.29 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.61 165.53 34.03 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.862 0.363 . . . . 50.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.31 -140.3 28.53 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 115.709 1.043 . . . . 25.0 115.709 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -29.66 70.2 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.813 0.34 . . . . 25.0 111.462 179.568 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -65.91 -38.49 88.84 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.833 -0.542 . . . . 50.0 109.695 176.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -43.67 96.52 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 122.037 -0.414 . . . . 50.0 110.024 174.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.6 t -62.5 -41.78 93.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 119.675 -0.81 . . . . 50.0 110.632 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.06 -42.55 99.31 Favored 'General case' 0 C--O 1.208 -1.132 0 O-C-N 121.565 -0.709 . . . . 50.0 111.495 176.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.16 90.75 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.399 -179.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.87 -38.98 90.29 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.846 0.355 . . . . 50.0 111.631 177.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.25 -42.64 99.21 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.02 -0.425 . . . . 25.0 111.272 176.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -68.76 -39.74 80.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.841 -0.744 . . . . 50.0 110.852 -176.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -81.68 -33.61 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 113.213 0.82 . . . . 50.0 113.213 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -125.61 -30.25 3.09 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.221 1.934 . . . . 50.0 116.221 -174.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.544 0 O-C-N 120.885 -1.134 . . . . 25.0 111.423 178.546 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 112.092 0.404 . . . . 25.0 112.092 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.27 -43.3 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 121.71 -0.619 . . . . 50.0 110.302 178.177 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -72.33 -20.66 61.45 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 121.773 -0.579 . . . . 25.0 111.905 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -91.42 -36.26 13.89 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.112 0.782 . . . . 50.0 113.112 179.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.14 -36.6 6.52 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 115.374 1.62 . . . . 50.0 115.374 -176.073 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.5 m -80.31 -48.82 12.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.755 -1.202 . . . . 50.0 107.755 179.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m -72.68 -47.81 44.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.863 0.69 . . . . 25.0 112.863 -177.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -112.72 -178.92 3.51 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 121.806 -0.559 . . . . 50.0 110.941 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -86.99 131.1 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.111 -1.44 . . . . 50.0 107.111 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -130.18 160.64 33.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 25.0 109.808 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.2 p -129.38 170.65 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.802 -0.635 . . . . 50.0 109.951 -173.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.24 -33.04 68.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.103 0.477 . . . . 50.0 111.457 177.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 -42.83 99.29 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.079 -0.51 . . . . 50.0 110.737 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -69.1 -46.25 68.18 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 176.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mp -56.42 -34.46 66.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.195 1.183 . . . . 50.0 114.195 -175.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.49 -33.64 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 50.0 111.719 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -71.21 -19.26 62.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.713 -0.617 . . . . 50.0 111.596 -178.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 109.557 -0.534 . . . . 50.0 109.557 178.318 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.239 0.518 0 N-CA-C 107.551 -1.278 . . . . 25.0 107.551 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -72.63 139.86 47.63 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.196 -1.039 . . . . 50.0 108.196 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.66 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.717 -1.216 . . . . 50.0 107.717 -172.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.93 97.22 6.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 50.0 108.257 171.212 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.48 134.97 34.19 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -149.31 161.97 40.99 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.804 -0.358 . . . . 50.0 111.067 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.96 -137.98 27.02 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -59.75 -32.26 70.41 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.465 -0.368 . . . . 25.0 111.247 179.381 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -63.47 -38.87 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.035 -0.415 . . . . 50.0 110.539 176.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -46.04 87.26 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.761 -0.459 . . . . 50.0 109.761 175.103 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.42 -41.72 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 120.27 -0.572 . . . . 50.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -61.44 -41.83 97.8 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.268 0.227 . . . . 50.0 110.591 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.83 97.34 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.016 -0.428 . . . . 25.0 110.55 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.13 -35.15 80.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.727 0.299 . . . . 50.0 110.856 177.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.44 -43.44 85.61 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.908 -0.495 . . . . 25.0 110.359 176.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -67.19 -40.53 86.53 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.432 -0.507 . . . . 50.0 110.697 -176.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -79.57 -35.03 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.976 -0.69 . . . . 50.0 112.71 -179.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.5 -32.46 1.52 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.831 2.53 . . . . 50.0 117.831 -176.234 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.371 0 C-N-CA 120.643 -0.789 . . . . 25.0 112.29 -177.976 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 tp . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.65 -46.67 85.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.107 -0.996 . . . . 50.0 109.146 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.35 -14.12 60.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.146 -0.479 . . . . 25.0 112.269 -175.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -99.09 -37.17 9.44 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 120.925 0.393 . . . . 50.0 111.465 176.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -109.36 -30.06 8.16 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 115.694 1.738 . . . . 50.0 115.694 -170.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.6 m -82.0 -49.58 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.502 -2.036 . . . . 50.0 105.502 174.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -70.93 -43.7 67.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -177.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.13 -178.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.833 -0.542 . . . . 50.0 111.083 -177.271 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -86.41 127.85 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 107.033 -1.469 . . . . 50.0 107.033 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -119.51 131.37 55.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.075 0.464 . . . . 25.0 110.656 -179.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -99.4 167.1 10.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 177.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pp -58.44 -32.48 68.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.778 0.323 . . . . 50.0 111.466 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.69 -39.19 90.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.565 0.698 . . . . 50.0 110.823 178.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -72.34 -42.66 65.11 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.73 -0.841 . . . . 50.0 108.73 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -31.33 69.85 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 111.827 0.306 . . . . 50.0 111.827 -177.448 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.5 -27.46 67.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.516 0.562 . . . . 50.0 112.516 176.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.91 -17.06 64.72 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.732 -0.605 . . . . 50.0 110.604 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 50.0 110.61 -177.307 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--O 1.239 0.527 0 CA-C-O 121.613 0.72 . . . . 25.0 109.417 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -78.24 120.51 23.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.799 -1.091 . . . . 50.0 108.155 175.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -163.18 -179.77 6.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.554 -2.017 . . . . 50.0 105.554 -174.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -73.69 124.47 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.878 -1.527 . . . . 50.0 106.878 172.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.2 mt -128.88 137.76 51.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.706 -1.591 . . . . 50.0 106.706 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.82 167.17 27.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.827 -0.624 . . . . 50.0 109.44 -178.239 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -136.69 30.99 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 178.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -61.28 -32.55 72.38 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.638 -0.281 . . . . 25.0 111.178 -179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -37.2 86.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.336 -0.545 . . . . 50.0 109.696 178.297 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -49.46 66.46 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.497 -0.481 . . . . 50.0 111.265 176.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.59 -30.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 119.252 -0.979 . . . . 50.0 109.766 -176.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.0 -46.23 88.64 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.693 -0.629 . . . . 50.0 110.677 172.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.12 97.74 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.362 -0.836 . . . . 25.0 109.406 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -34.97 79.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.678 -0.49 . . . . 50.0 109.678 179.52 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -68.46 -41.57 80.02 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 120.98 -0.288 . . . . 25.0 110.636 176.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.72 -39.84 91.6 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.577 -0.702 . . . . 50.0 110.934 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -84.33 -34.44 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.051 0.76 . . . . 50.0 113.051 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -126.15 -32.34 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.845 1.794 . . . . 50.0 115.845 -172.169 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.354 -1.098 . . . . 25.0 110.354 178.611 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.239 0.54 0 CA-C-O 120.923 0.392 . . . . 25.0 109.953 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.88 -34.72 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 O-C-N 121.713 -0.617 . . . . 50.0 110.31 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.43 -20.98 53.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.301 0.572 . . . . 25.0 110.119 -178.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -88.32 -39.02 14.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.579 0.585 . . . . 50.0 112.579 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.2 m -105.63 -32.71 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.456 2.021 . . . . 50.0 116.456 -174.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.1 -52.84 7.3 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.227 -1.768 . . . . 50.0 106.227 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -67.04 -45.29 77.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.896 -1.047 . . . . 25.0 113.113 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -120.51 -176.03 3.14 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 112.337 0.495 . . . . 50.0 112.337 -174.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.6 mm -91.57 134.83 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 106.373 -1.714 . . . . 50.0 106.373 177.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.28 146.86 51.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 176.75 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -110.84 168.61 9.35 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.116 -0.947 . . . . 50.0 109.089 -177.165 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.31 -32.15 62.22 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.009 -0.542 . . . . 50.0 112.411 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.42 -43.32 99.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.954 0.353 . . . . 50.0 111.954 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -70.64 -43.8 68.46 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.319 -0.993 . . . . 50.0 108.319 177.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.33 -40.28 61.73 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.384 0.513 . . . . 50.0 112.384 -178.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.95 -32.41 67.79 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 50.0 112.648 179.317 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -69.02 -20.77 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.406 0.548 . . . . 50.0 111.403 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 CA--C 1.51 -0.593 0 CA-C-O 121.297 0.57 . . . . 50.0 110.691 179.229 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -74.74 122.09 22.74 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.926 0.766 . . . . 50.0 109.333 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -163.6 173.46 12.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.793 -1.188 . . . . 50.0 107.793 -173.263 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -71.66 131.52 43.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.402 -1.333 . . . . 50.0 107.402 174.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -136.72 137.6 40.12 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.264 -1.013 . . . . 50.0 108.264 -176.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 163.08 38.17 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.858 -1.164 . . . . 50.0 107.858 -177.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.35 -136.51 11.84 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 116.865 1.506 . . . . 25.0 116.865 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -27.67 68.75 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 122.199 -0.589 . . . . 25.0 112.379 179.339 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -67.53 -37.74 83.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.596 -0.69 . . . . 50.0 109.433 176.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -44.06 90.35 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.358 -0.608 . . . . 50.0 109.358 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -36.64 78.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 120.86 -0.336 . . . . 50.0 111.037 -179.142 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.04 -43.9 97.85 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.269 -0.271 . . . . 50.0 110.269 175.083 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.73 94.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.828 178.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.05 -35.46 80.31 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.302 0.572 . . . . 50.0 109.913 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -68.66 -41.34 79.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.953 177.181 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.43 75.46 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.751 -0.593 . . . . 50.0 111.118 -177.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 p -79.69 -32.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 113.445 0.906 . . . . 50.0 113.445 -178.348 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.89 -26.4 1.19 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.061 2.245 . . . . 50.0 117.061 -177.403 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -1.172 0 C-N-CA 119.952 -1.118 . . . . 25.0 111.538 179.062 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.464 0.227 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.94 -45.66 83.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 O-C-N 121.495 -0.753 . . . . 50.0 109.97 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -68.29 -32.07 71.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.693 0.758 . . . . 25.0 111.82 -179.073 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -75.38 -44.09 46.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.768 -0.651 . . . . 50.0 110.944 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -108.16 -41.58 4.87 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 116.668 2.099 . . . . 50.0 116.668 -172.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.94 -45.49 57.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.478 -1.305 . . . . 50.0 107.478 -178.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -80.57 -46.47 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.435 -0.802 . . . . 25.0 112.218 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -114.7 178.79 4.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.235 0.457 . . . . 50.0 112.235 -174.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.3 mm -84.42 130.55 35.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 105.862 -1.903 . . . . 50.0 105.862 178.27 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -127.88 150.81 49.7 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.444 0.64 . . . . 25.0 109.601 175.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -112.64 168.66 9.48 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.255 -0.884 . . . . 50.0 110.721 -174.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -29.29 70.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.763 0.316 . . . . 50.0 110.957 -179.16 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.97 -44.08 93.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.74 0.781 . . . . 50.0 111.327 178.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -68.81 -43.44 75.59 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.788 -0.57 . . . . 50.0 110.195 176.02 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -55.58 -36.78 67.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.081 0.4 . . . . 50.0 112.081 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.2 -30.54 70.48 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.63 -0.669 . . . . 50.0 112.304 177.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -73.25 -13.65 61.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.869 -0.519 . . . . 50.0 110.519 -177.217 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 N--CA 1.467 0.396 0 C-N-CA 120.71 -0.396 . . . . 50.0 110.044 177.94 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -73.45 132.93 43.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.988 -1.116 . . . . 50.0 107.988 -177.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -166.11 -178.53 4.68 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.332 -0.988 . . . . 50.0 108.332 -173.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.99 136.64 36.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.603 -1.258 . . . . 50.0 107.603 170.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 mt -138.39 141.89 39.61 Favored 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 107.66 -1.237 . . . . 50.0 107.66 -178.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.33 165.11 36.8 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.947 -0.39 . . . . 50.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.76 -132.41 22.58 Favored Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.72 1.048 . . . . 25.0 115.72 177.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -62.81 -30.61 71.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.041 -0.579 . . . . 25.0 111.692 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -70.6 -33.59 71.21 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.161 -0.962 . . . . 50.0 109.594 177.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -46.33 79.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 121.014 -0.274 . . . . 50.0 110.296 175.853 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.73 -28.52 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 118.603 -1.239 . . . . 50.0 110.666 -178.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -65.59 -40.72 93.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.476 -0.329 . . . . 50.0 110.731 172.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.0 93.0 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.589 -0.694 . . . . 25.0 110.272 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.23 -38.36 79.8 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.581 -0.736 . . . . 50.0 110.33 177.402 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -67.02 -44.79 79.4 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.935 -0.478 . . . . 25.0 111.27 177.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.16 -38.17 85.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.921 -0.487 . . . . 50.0 111.104 -176.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 p -82.51 -33.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 114.102 1.149 . . . . 50.0 114.102 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -125.33 -40.09 2.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.714 2.116 . . . . 50.0 116.714 -177.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.068 0 C-N-CA 120.702 -0.761 . . . . 25.0 114.365 -176.79 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 112.683 0.623 . . . . 25.0 112.683 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.1 -42.71 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 O-C-N 120.899 -1.125 . . . . 50.0 111.123 -177.546 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -70.0 -27.57 64.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.369 0.605 . . . . 25.0 110.141 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -84.3 -35.02 23.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.29 0.848 . . . . 50.0 113.29 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -109.09 -36.9 5.94 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 116.531 2.048 . . . . 50.0 116.531 -177.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 t -81.88 -24.23 35.86 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.792 -1.192 . . . . 50.0 108.93 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -104.72 -48.25 3.83 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.743 -0.662 . . . . 25.0 112.275 177.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -108.17 -177.6 3.37 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.775 0.798 . . . . 50.0 111.615 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.88 137.1 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 105.519 -2.03 . . . . 50.0 105.519 174.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -135.11 153.44 52.01 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 174.381 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -119.58 171.52 8.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.566 -0.902 . . . . 50.0 108.566 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -34.69 63.68 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 123.619 0.575 . . . . 50.0 110.413 -178.552 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -59.67 -50.13 75.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.05 -0.523 . . . . 50.0 111.813 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -65.71 -43.31 89.49 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 109.334 -0.617 . . . . 50.0 109.334 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.92 -38.3 70.09 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.193 1.183 . . . . 50.0 114.193 -178.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.57 -24.56 65.53 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.8 1.037 . . . . 50.0 113.8 176.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.11 -17.83 64.96 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.071 0.85 . . . . 50.0 110.382 175.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 N--CA 1.451 -0.419 0 C-N-CA 123.835 0.854 . . . . 50.0 110.737 179.507 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.252 1.217 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -81.0 128.38 33.63 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.705 -0.68 . . . . 50.0 110.6 -176.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -164.8 176.57 8.64 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 106.422 -1.695 . . . . 50.0 106.422 -174.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.35 136.66 38.47 Favored 'General case' 0 C--O 1.192 -1.928 0 N-CA-C 106.523 -1.658 . . . . 50.0 106.523 173.276 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -137.8 139.91 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.666 -1.235 . . . . 50.0 107.666 -177.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -150.96 168.05 25.73 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.11 -1.07 . . . . 50.0 108.11 179.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.3 -139.29 30.44 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -63.1 -27.58 69.49 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 122.13 -0.63 . . . . 25.0 112.415 178.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -69.83 -33.09 71.84 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.292 0.496 . . . . 50.0 109.863 176.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -44.64 80.12 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 107.674 -1.232 . . . . 50.0 107.674 174.583 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.1 -42.6 90.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 120.304 -0.558 . . . . 50.0 110.207 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.37 -46.06 83.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.695 0.257 . . . . 50.0 111.695 176.224 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.07 96.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.181 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.37 -37.49 85.92 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.303 0.377 . . . . 50.0 111.989 177.023 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -64.06 -45.63 87.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.875 -0.148 . . . . 25.0 110.884 174.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.04 -38.02 87.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.754 -0.591 . . . . 50.0 111.304 -175.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.65 -35.86 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 114.24 1.2 . . . . 50.0 114.24 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.19 -29.41 2.75 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.573 1.694 . . . . 50.0 115.573 -175.267 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.597 0 C-N-CA 120.702 -0.761 . . . . 25.0 111.281 175.794 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tp . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 112.567 0.58 . . . . 25.0 112.567 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.52 -44.31 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 121.015 -1.053 . . . . 50.0 109.194 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -64.03 -32.03 73.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.693 -0.685 . . . . 25.0 110.647 -178.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -85.01 -40.57 16.72 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.519 0.933 . . . . 50.0 113.519 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.3 m -102.44 -39.15 7.26 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.646 1.721 . . . . 50.0 115.646 -175.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.7 m -78.25 -53.61 7.14 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.456 -1.313 . . . . 50.0 107.456 -178.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -71.5 -44.24 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.539 -179.084 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -116.49 -175.33 2.73 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.131 -0.355 . . . . 50.0 111.414 -176.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -89.08 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.028 -1.471 . . . . 50.0 107.028 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -133.33 152.75 51.94 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.245 0.831 . . . . 25.0 113.245 174.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -118.28 168.17 10.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 50.0 110.011 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -60.8 -32.44 71.8 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.003 -0.436 . . . . 50.0 111.939 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -61.43 -43.24 99.21 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 121.805 0.812 . . . . 50.0 110.077 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -71.06 -43.22 68.23 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.929 -0.482 . . . . 50.0 109.748 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.11 -37.05 68.89 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 112.555 0.576 . . . . 50.0 112.555 -179.47 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.72 -31.86 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.673 -0.642 . . . . 50.0 112.695 175.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.65 -18.9 62.16 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.603 -1.311 . . . . 50.0 110.653 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 121.908 0.861 . . . . 50.0 110.689 177.226 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.238 0.499 0 N-CA-C 107.153 -1.425 . . . . 25.0 107.153 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -77.01 131.13 38.29 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.546 -0.539 . . . . 50.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -166.95 -178.54 4.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 106.721 -1.585 . . . . 50.0 106.721 -174.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -78.15 135.62 37.69 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.477 -0.934 . . . . 50.0 108.477 172.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.4 mt -139.55 145.32 38.5 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.754 -0.832 . . . . 50.0 108.754 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -153.37 169.36 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.097 -0.705 . . . . 50.0 109.097 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.98 -143.89 13.64 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 122.255 0.919 . . . . 25.0 114.958 179.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.26 -26.57 65.03 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -38.66 87.85 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.086 0.469 . . . . 50.0 110.488 176.049 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -45.39 85.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 50.0 108.879 175.411 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.35 -41.8 88.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.979 0 N-CA-C 109.535 -0.542 . . . . 50.0 109.535 179.209 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -60.76 -45.1 95.63 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 121.696 -0.627 . . . . 50.0 111.261 178.015 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.46 96.18 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.691 -0.404 . . . . 25.0 111.266 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -37.11 85.9 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.316 0.579 . . . . 50.0 109.727 178.53 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -65.64 -44.8 85.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 122.054 -0.404 . . . . 25.0 110.937 176.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.12 -40.81 95.0 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.171 -0.611 . . . . 50.0 111.05 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -75.43 -40.35 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 119.59 -0.844 . . . . 50.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.33 -23.04 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.08 2.622 . . . . 50.0 118.08 -171.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.716 0 N-CA-C 109.571 -1.411 . . . . 25.0 109.571 176.301 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.336 0.589 . . . . 25.0 111.59 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.52 -39.39 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 O-C-N 120.48 -1.388 . . . . 50.0 110.021 -175.513 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.87 2.5 14.43 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -115.79 -37.62 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.369 0.604 . . . . 50.0 111.982 174.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -98.14 -22.34 16.26 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.85 1.056 . . . . 50.0 113.85 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t -98.93 -54.39 3.01 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 m -63.53 -35.3 80.04 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.193 -0.912 . . . . 25.0 111.914 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -127.93 -173.86 3.05 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.243 -0.91 . . . . 50.0 109.655 177.008 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 mm -91.75 137.73 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.18 165.09 26.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.165 -1.42 . . . . 25.0 107.165 172.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -126.55 173.7 9.23 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 -176.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.56 -32.99 43.74 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 113.018 0.748 . . . . 50.0 113.018 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.16 -40.21 95.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 50.0 111.073 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.83 -45.87 48.64 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.496 -0.927 . . . . 50.0 108.496 178.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.04 -39.4 66.17 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 113.47 0.915 . . . . 75.0 113.47 -178.081 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.62 -35.09 71.94 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 117.558 0.163 . . . . 50.0 111.066 179.074 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -69.34 -21.91 63.79 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.934 -1.103 . . . . 50.0 112.666 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 C--O 1.213 -0.817 0 N-CA-C 108.724 -0.843 . . . . 50.0 108.724 178.961 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -73.87 127.24 32.33 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.001 -1.481 . . . . 50.0 107.001 175.448 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -167.35 -179.52 4.52 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.891 -0.781 . . . . 50.0 108.891 -171.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -77.84 128.11 33.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.504 -0.925 . . . . 50.0 108.504 173.104 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.14 137.14 46.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.662 -0.866 . . . . 50.0 108.662 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.8 161.32 38.4 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.783 -0.451 . . . . 50.0 109.783 -177.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.97 -135.2 16.39 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 116.173 1.229 . . . . 25.0 116.173 176.272 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -61.49 -29.03 69.72 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 118.476 -0.773 . . . . 25.0 111.711 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.45 -39.08 93.14 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.382 0.537 . . . . 50.0 109.571 175.215 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -44.0 94.46 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.807 -0.558 . . . . 50.0 110.49 175.35 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.15 -42.01 93.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.962 0 N-CA-C 109.573 -0.528 . . . . 50.0 109.573 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.13 -43.23 95.83 Favored 'General case' 0 C--O 1.195 -1.797 0 C-N-CA 120.734 -0.386 . . . . 50.0 110.947 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.54 93.45 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 122.02 -0.425 . . . . 25.0 110.616 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -38.29 89.72 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.581 0.705 . . . . 50.0 111.193 178.396 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -68.09 -42.1 80.86 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.798 -0.564 . . . . 25.0 111.31 179.564 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.09 -38.47 78.98 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.03 -1.043 . . . . 50.0 111.115 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -81.33 -35.66 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 119.655 -0.818 . . . . 50.0 113.115 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 t -125.9 -34.75 2.56 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.226 1.565 . . . . 50.0 115.226 -172.138 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.872 0 C-N-CA 120.135 -1.031 . . . . 25.0 112.804 -175.729 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 CA-C-O 122.784 1.213 . . . . 25.0 113.249 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp -51.74 -36.36 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 114.413 1.264 . . . . 25.0 114.413 -174.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.46 -45.61 81.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 121.528 -0.733 . . . . 50.0 109.975 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.6 -25.05 63.77 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.438 -0.346 . . . . 25.0 110.37 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -39.45 20.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.037 0.754 . . . . 50.0 113.037 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.28 -36.02 5.7 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.416 2.006 . . . . 50.0 116.416 -173.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -75.82 -51.91 11.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.156 -1.794 . . . . 50.0 106.156 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.1 m -71.54 -48.66 47.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.128 1.159 . . . . 25.0 114.128 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -117.03 -177.43 3.2 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.973 -0.454 . . . . 50.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.11 134.44 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 107.377 -1.342 . . . . 50.0 107.377 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -132.87 166.48 22.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.9 t -137.9 170.86 15.32 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 108.5 -0.926 . . . . 50.0 108.5 -175.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -31.31 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.673 0.389 . . . . 50.0 111.372 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.01 -43.6 86.77 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.207 -0.451 . . . . 50.0 111.991 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -79.86 -37.83 34.05 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 121.028 -0.269 . . . . 50.0 110.814 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.97 -37.59 69.26 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 50.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.28 -26.03 68.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.248 0.833 . . . . 50.0 113.248 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -71.67 -18.16 62.19 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.204 -0.935 . . . . 50.0 110.456 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -91.83 2.82 56.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.295 0.569 . . . . 50.0 109.75 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.1 t -105.71 -53.15 2.69 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.078 -1.452 . . . . 50.0 107.078 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 125.918 2.77 . . . . 25.0 113.763 177.413 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 122.78 1.276 . . . . 25.0 114.427 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.93 144.77 32.51 Favored 'Isoleucine or valine' 0 C--N 1.345 0.386 0 N-CA-C 107.327 -1.361 . . . . 25.0 107.327 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -77.7 125.73 29.78 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.425 -0.807 . . . . 50.0 110.1 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -164.52 177.64 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.737 -1.579 . . . . 50.0 106.737 -175.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.49 134.89 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.619 -1.252 . . . . 50.0 107.619 173.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 mt -138.34 138.64 38.51 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 107.766 -1.198 . . . . 50.0 107.766 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.85 166.11 31.54 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.232 -0.655 . . . . 50.0 109.232 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.39 -135.79 22.83 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 115.559 0.983 . . . . 25.0 115.559 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -62.41 -29.97 70.88 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.439 -0.448 . . . . 25.0 111.26 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -66.89 -37.06 83.67 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.547 -0.461 . . . . 50.0 110.12 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -46.31 85.47 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.402 -0.363 . . . . 50.0 110.122 174.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.45 -41.73 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 120.884 0.373 . . . . 50.0 110.001 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.15 -44.23 87.79 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.81 0.444 . . . . 50.0 111.776 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.31 94.99 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.14 -0.624 . . . . 25.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -37.85 87.86 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.467 0.48 . . . . 50.0 109.77 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.04 -44.43 84.61 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.97 -0.292 . . . . 25.0 111.545 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 mt -65.81 -40.52 91.94 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.618 -0.433 . . . . 50.0 110.948 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 119.785 -0.766 . . . . 50.0 112.473 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.48 -24.81 1.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 117.127 2.269 . . . . 50.0 117.127 -172.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.5 -33.19 86.57 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 119.331 -1.414 . . . . 25.0 110.816 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.66 -3.15 23.18 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.397 0.888 . . . . 50.0 113.397 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.77 0.83 36.51 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.322 -0.992 . . . . 50.0 108.322 174.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.75 1.88 82.3 Favored Glycine 0 C--O 1.222 -0.602 0 CA-C-N 116.145 -0.48 . . . . 25.0 113.424 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.04 79.98 0.78 Allowed Glycine 0 C--O 1.224 -0.484 0 N-CA-C 109.879 -1.288 . . . . 25.0 109.879 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.17 152.28 39.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.883 0.697 . . . . 50.0 112.883 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -109.49 -1.31 18.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.148 -0.933 . . . . 50.0 111.3 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -78.64 68.56 8.07 Favored 'Trans proline' 0 C--N 1.396 3.079 0 C-N-CA 122.296 1.997 . . . . 25.0 113.379 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.21 -1.001 0 CA-C-O 125.211 2.434 . . . . 25.0 111.379 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.45 0 CA-C-O 123.009 1.338 . . . . 25.0 116.127 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.6 tp -50.2 -39.06 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 121.16 -1.2 . . . . 25.0 113.213 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.05 -43.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.545 -0.722 . . . . 50.0 110.32 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -74.84 -16.8 60.68 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.601 -0.687 . . . . 25.0 112.155 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -30.52 15.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.59 0.589 . . . . 50.0 112.59 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -109.04 -41.82 4.6 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.614 1.339 . . . . 50.0 114.614 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -79.66 -26.33 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 50.0 109.007 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -101.09 -46.34 5.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.795 -0.638 . . . . 25.0 112.562 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -112.3 -177.12 3.08 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.893 -0.505 . . . . 50.0 110.293 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.7 mm -88.08 133.49 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.043 -1.466 . . . . 50.0 107.043 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.84 161.95 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -132.34 175.25 9.44 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.126 -0.694 . . . . 50.0 109.126 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 50.0 111.525 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.43 -50.36 73.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.786 -0.643 . . . . 50.0 111.375 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -68.8 -41.44 78.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.435 -0.95 . . . . 50.0 108.435 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mp -55.99 -35.69 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.406 1.261 . . . . 50.0 114.406 -177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.1 -32.98 71.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.764 -0.374 . . . . 50.0 111.828 176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.6 -15.74 61.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.928 -0.483 . . . . 50.0 110.997 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -96.92 1.73 50.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 50.0 110.512 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -99.6 -41.3 7.4 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.379 0.609 . . . . 50.0 110.439 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 122.904 1.335 . . . . 25.0 111.562 -179.153 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 123.409 1.576 . . . . 25.0 113.916 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.63 139.66 36.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.007 -1.108 . . . . 25.0 108.007 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -75.94 133.43 40.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.462 -1.311 . . . . 50.0 107.462 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -167.29 -179.29 4.44 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.477 -1.305 . . . . 50.0 107.477 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -81.23 134.37 35.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.42 -1.326 . . . . 50.0 107.42 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -135.29 139.84 44.68 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.264 -1.013 . . . . 50.0 108.264 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -151.0 163.02 39.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.34 -138.85 21.9 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.022 1.169 . . . . 25.0 116.022 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.49 -31.32 69.24 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.21 -0.495 . . . . 25.0 111.801 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -65.97 -36.53 83.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.527 -0.733 . . . . 50.0 110.611 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -44.48 86.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.514 -0.55 . . . . 50.0 109.514 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.4 -44.4 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 120.952 -0.299 . . . . 50.0 110.231 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -59.43 -43.08 93.17 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.665 -0.243 . . . . 50.0 111.245 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.18 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.796 -0.565 . . . . 25.0 111.176 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.48 -37.12 86.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.245 0.545 . . . . 50.0 111.087 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -66.21 -40.92 90.69 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.094 -0.379 . . . . 25.0 111.268 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 mt -68.57 -38.82 81.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.772 -0.58 . . . . 50.0 111.012 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.23 -38.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.8 0.667 . . . . 50.0 112.8 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -123.16 -29.98 3.8 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 116.842 2.164 . . . . 50.0 116.842 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.42 -28.0 73.47 Favored Glycine 0 C--O 1.215 -1.032 0 N-CA-C 110.602 -0.999 . . . . 25.0 110.602 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.74 21.11 2.31 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.119 0.485 . . . . 50.0 110.793 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -139.83 -43.72 0.43 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.599 0.592 . . . . 50.0 112.599 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.11 -133.1 5.57 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.43 -25.04 5.12 Favored Glycine 0 N--CA 1.462 0.396 0 N-CA-C 115.688 1.035 . . . . 25.0 115.688 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.2 t80 63.5 177.32 0.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.919 0.887 . . . . 50.0 112.284 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -122.58 -2.15 8.94 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.295 0.569 . . . . 50.0 110.755 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.0 80.69 2.98 Favored 'Trans proline' 0 C--N 1.395 2.977 0 C-N-CA 122.053 1.836 . . . . 25.0 112.264 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.485 1.325 0 CA-C-N 113.608 -1.633 . . . . 25.0 111.166 -177.068 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.192 -2.514 0 CA-C-O 121.705 0.614 . . . . 25.0 114.149 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tp -169.25 -42.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.364 0.666 . . . . 25.0 110.811 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.3 t -56.57 -47.93 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 112.566 0.58 . . . . 50.0 112.566 -176.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.26 2.25 13.78 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.115 -0.99 . . . . 25.0 113.327 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -116.35 -24.98 7.68 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.271 0.471 . . . . 50.0 112.271 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 m -111.71 -33.42 6.34 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.978 1.103 . . . . 50.0 113.978 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.83 -49.41 12.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.023 -1.473 . . . . 50.0 107.023 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.7 m -75.87 -39.3 56.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -176.57 3.02 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.937 -0.477 . . . . 50.0 111.7 -177.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -96.31 132.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.377 -1.342 . . . . 50.0 107.377 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.01 153.99 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -115.32 175.55 5.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.187 -1.042 . . . . 50.0 108.187 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -32.45 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.545 0.528 . . . . 50.0 112.107 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.48 -43.96 97.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 50.0 111.456 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -69.56 -44.18 71.42 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 107.892 -1.151 . . . . 50.0 107.892 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.38 -39.53 60.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.161 0.43 . . . . 50.0 112.161 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.66 -35.88 71.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.666 0.617 . . . . 50.0 112.666 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -71.29 -18.84 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.119 -0.363 . . . . 50.0 111.063 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -87.02 -8.65 56.94 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 109.717 -0.475 . . . . 50.0 109.717 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.9 t -87.86 -47.05 8.89 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.013 -1.477 . . . . 50.0 107.013 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t30 . . . . . 0 CA--C 1.554 1.108 0 CA-C-N 113.564 -1.653 . . . . 25.0 112.671 177.36 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 123.45 1.595 . . . . 25.0 114.49 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.4 t -124.37 136.08 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 107.225 -1.398 . . . . 25.0 107.225 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -68.41 122.31 18.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -162.34 178.17 8.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.492 -1.299 . . . . 50.0 107.492 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -74.93 109.87 8.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.397 -1.334 . . . . 50.0 107.397 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -111.42 136.18 50.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 107.064 -1.458 . . . . 50.0 107.064 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -151.93 164.09 37.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.249 -0.432 . . . . 50.0 110.01 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.26 -135.15 32.37 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.481 0.952 . . . . 25.0 115.481 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -60.23 -31.73 70.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.836 -0.682 . . . . 25.0 110.289 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -69.52 -34.77 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.749 -0.594 . . . . 50.0 110.774 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.29 92.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.221 -0.659 . . . . 50.0 109.221 174.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.12 -43.88 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 108.68 -0.859 . . . . 50.0 108.68 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.71 -42.07 92.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.15 -0.344 . . . . 50.0 111.777 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.82 82.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.687 -0.405 . . . . 25.0 110.443 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -35.64 79.81 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.212 0.53 . . . . 50.0 109.711 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.65 -42.61 77.71 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.75 -38.52 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.711 -0.618 . . . . 50.0 111.927 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -82.59 -32.84 10.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 113.917 1.08 . . . . 50.0 113.917 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -126.08 -35.38 2.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 114.452 1.278 . . . . 50.0 114.452 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -62.12 -38.38 96.03 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 119.839 -1.172 . . . . 25.0 112.674 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -82.21 7.57 13.34 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.469 -0.43 . . . . 50.0 111.394 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -109.51 -42.97 4.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.112 0.482 . . . . 50.0 110.819 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.42 137.73 3.55 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.518 -1.033 . . . . 25.0 110.518 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.94 20.76 13.25 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 116.53 1.372 . . . . 25.0 116.53 175.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.404 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 0.8 OUTLIER -78.18 158.25 29.09 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.902 -0.764 . . . . 50.0 112.02 178.612 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -116.88 -3.93 11.61 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.954 0.784 . . . . 50.0 112.554 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.2 85.3 1.88 Allowed 'Trans proline' 0 C--N 1.396 3.054 0 C-N-CA 122.161 1.907 . . . . 25.0 112.049 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 125.471 2.558 . . . . 25.0 110.797 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 CA-C-O 122.225 0.903 . . . . 25.0 114.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 tt -56.88 -31.54 36.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 O-C-N 121.873 -0.781 . . . . 25.0 112.885 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.17 -48.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 121.211 -0.931 . . . . 50.0 109.302 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -66.23 -32.56 74.06 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.814 -0.554 . . . . 25.0 111.85 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -79.98 -38.61 31.85 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 114.038 1.125 . . . . 50.0 114.038 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -107.21 -42.02 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.984 1.476 . . . . 50.0 114.984 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.0 m -74.6 -56.26 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.778 -1.193 . . . . 50.0 107.778 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -73.24 -45.84 53.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.329 -0.85 . . . . 25.0 112.702 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -113.55 -172.5 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.095 0.406 . . . . 50.0 112.095 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.62 131.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.288 -1.375 . . . . 50.0 107.288 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -129.63 161.78 29.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -120.53 167.98 11.83 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.825 -0.806 . . . . 50.0 108.825 -177.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.62 -31.91 62.68 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.02 -0.536 . . . . 50.0 111.699 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.254 0.55 . . . . 50.0 110.455 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.83 -39.91 66.19 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.379 -0.6 . . . . 50.0 109.379 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mp -57.11 -36.12 70.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.926 0.713 . . . . 50.0 112.926 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.06 -30.91 71.31 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.207 -0.597 . . . . 50.0 111.835 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -71.92 -13.95 61.79 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.788 -0.57 . . . . 50.0 110.213 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -102.3 6.27 40.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.434 . . . . 50.0 110.583 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -70.22 -43.05 71.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.605 0.716 . . . . 50.0 110.965 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.4 t30 . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 124.736 2.207 . . . . 25.0 111.368 179.383 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.8 t80 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 123.294 1.521 . . . . 25.0 115.004 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t -111.33 133.28 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 O-C-N 121.056 -1.027 . . . . 25.0 109.191 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -70.3 126.49 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.254 -1.017 . . . . 50.0 108.254 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -164.76 174.49 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.687 -1.227 . . . . 50.0 107.687 -173.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -74.12 131.21 41.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.066 -1.087 . . . . 50.0 108.066 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -137.54 140.97 41.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 107.431 -1.322 . . . . 50.0 107.431 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.11 167.69 28.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.332 -0.147 . . . . 50.0 110.651 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.29 -139.92 29.17 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 114.581 0.592 . . . . 25.0 114.581 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -28.22 68.87 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.463 -0.434 . . . . 25.0 111.925 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.65 -37.02 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.623 -0.673 . . . . 50.0 110.485 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -44.75 91.85 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.849 -0.426 . . . . 50.0 109.849 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.1 t -60.32 -43.23 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 110.52 -0.178 . . . . 50.0 110.52 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -61.99 -43.74 98.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 122.043 -0.411 . . . . 50.0 110.59 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.29 99.72 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -35.2 80.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 50.0 110.714 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.16 -42.47 84.24 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.123 -0.361 . . . . 25.0 111.101 175.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.79 -41.19 88.02 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.41 -0.806 . . . . 50.0 110.454 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.61 -32.53 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 114.222 1.193 . . . . 50.0 114.222 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -122.94 -42.94 2.26 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.101 1.519 . . . . 50.0 115.101 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.24 -42.23 97.15 Favored Glycine 0 C--O 1.221 -0.707 0 C-N-CA 120.587 -0.816 . . . . 25.0 113.192 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -71.46 -21.93 61.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.322 0.49 . . . . 50.0 112.322 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -83.04 -39.53 21.11 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.362 0.601 . . . . 50.0 110.958 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.48 95.46 0.38 Allowed Glycine 0 C--O 1.223 -0.537 0 CA-C-N 113.989 -1.459 . . . . 25.0 110.759 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.11 112.14 1.12 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 121.412 -0.423 . . . . 25.0 112.605 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -156.94 156.24 32.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.864 -1.161 . . . . 50.0 107.864 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -110.14 -2.55 16.85 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 123.35 0.406 . . . . 50.0 111.785 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.73 79.64 3.29 Favored 'Trans proline' 0 C--N 1.399 3.195 0 C-N-CA 121.941 1.761 . . . . 25.0 112.875 178.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 64.7 p . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 124.871 2.272 . . . . 25.0 110.342 179.762 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.767 0 CA-C-O 123.084 1.38 . . . . 25.0 115.8 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp -53.92 -35.46 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.633 -0.922 . . . . 25.0 112.734 -177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.45 -45.19 89.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.851 -0.53 . . . . 50.0 110.665 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -74.98 -30.67 61.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.635 0.731 . . . . 25.0 110.543 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.01 -40.37 65.25 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.827 -0.546 . . . . 50.0 112.404 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.4 m -105.85 -39.41 6.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.824 1.787 . . . . 50.0 115.824 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -80.7 -53.78 6.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.331 -1.359 . . . . 50.0 107.331 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.8 m -70.21 -45.52 66.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.269 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -116.35 -175.61 2.79 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 122.042 -0.411 . . . . 50.0 111.603 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -88.71 138.66 18.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.608 -1.256 . . . . 50.0 107.608 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.93 159.3 42.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.305 0.574 . . . . 25.0 111.501 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -122.85 164.61 18.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.044 -0.98 . . . . 50.0 109.341 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.24 -30.95 66.94 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.85 -0.614 . . . . 50.0 111.252 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -60.43 -42.6 96.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 50.0 110.71 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -75.92 -38.6 57.51 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.4 -0.593 . . . . 50.0 109.4 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 2.4 mp -54.83 -39.21 68.31 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.291 0.849 . . . . 50.0 113.291 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.68 -31.35 68.13 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.999 -0.68 . . . . 50.0 111.991 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.27 -20.07 62.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.314 -0.866 . . . . 50.0 111.036 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.417 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 83.2 m-85 -89.51 -4.24 58.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.735 0.303 . . . . 50.0 110.322 176.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -98.65 -15.19 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.245 1.021 . . . . 50.0 109.489 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 . . . . . 0 C--O 1.21 -1.017 0 CA-C-O 124.77 2.224 . . . . 25.0 111.669 -178.57 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 123.376 1.56 . . . . 25.0 114.722 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -118.47 146.24 23.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 106.771 -1.566 . . . . 25.0 106.771 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -72.74 132.78 44.08 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 107.411 -1.329 . . . . 50.0 107.411 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -165.79 -179.11 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.001 -1.111 . . . . 50.0 108.001 -173.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.45 133.68 35.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.016 -1.105 . . . . 50.0 108.016 171.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.46 137.04 39.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.073 -1.084 . . . . 75.0 108.073 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.48 162.24 39.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.46 -0.57 . . . . 50.0 109.46 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.64 -136.64 17.97 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.969 1.148 . . . . 25.0 115.969 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.8 p -60.63 -30.23 69.74 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.463 -0.434 . . . . 25.0 111.97 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -66.79 -35.93 81.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.964 -0.46 . . . . 50.0 110.463 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -44.13 82.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.702 -0.481 . . . . 50.0 109.702 174.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.9 t -61.7 -40.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 109.757 -0.46 . . . . 50.0 109.757 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -61.14 -44.01 97.99 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 122.078 -0.389 . . . . 50.0 110.645 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.18 99.45 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.224 -0.59 . . . . 25.0 111.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.64 -37.65 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.708 0.289 . . . . 50.0 111.14 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -65.09 -41.62 94.82 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.989 -0.445 . . . . 25.0 110.474 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.49 -41.66 88.6 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.858 -0.526 . . . . 50.0 110.414 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.61 -36.82 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 112.95 0.722 . . . . 50.0 112.95 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -114.84 -39.19 3.76 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 116.348 1.981 . . . . 50.0 116.348 -172.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.79 94.44 Favored Glycine 0 CA--C 1.518 0.232 0 N-CA-C 110.836 -0.906 . . . . 25.0 110.836 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.95 -8.12 46.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.507 0.323 . . . . 50.0 111.531 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -5.33 24.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.024 0.44 . . . . 50.0 110.969 -177.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.94 83.0 1.03 Allowed Glycine 0 C--N 1.321 -0.301 0 C-N-CA 120.814 -0.707 . . . . 25.0 111.728 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.64 -128.58 1.41 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 105.657 -2.977 . . . . 25.0 105.657 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 t80 65.48 165.73 0.18 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.915 1.286 . . . . 50.0 113.25 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -113.96 -2.18 13.62 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 120.883 0.373 . . . . 50.0 111.952 -173.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -77.69 81.54 2.64 Favored 'Trans proline' 0 C--N 1.397 3.115 0 C-N-CA 121.817 1.678 . . . . 25.0 112.625 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.209 -1.069 0 CA-C-O 124.01 1.862 . . . . 25.0 114.002 178.116 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 116.332 1.293 . . . . 25.0 116.332 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 18.3 tt -48.51 -34.58 5.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -63.98 -44.67 97.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.193 -0.942 . . . . 50.0 109.912 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.68 -12.57 59.81 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.07 -1.019 . . . . 25.0 112.263 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.11 -28.56 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.61 0.967 . . . . 50.0 113.61 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.6 m -114.25 -40.42 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.604 0.965 . . . . 50.0 113.604 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.03 -52.61 12.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.092 -1.077 . . . . 50.0 108.092 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -73.41 -43.87 59.59 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -118.13 -178.28 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.691 -0.631 . . . . 50.0 110.246 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -91.13 132.92 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.748 -1.204 . . . . 50.0 107.748 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -133.47 158.62 42.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -121.66 173.65 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 50.0 110.187 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -56.29 -27.7 56.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.015 0.436 . . . . 50.0 111.831 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.63 -47.58 85.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 50.0 110.607 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -72.4 -39.87 67.62 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.282 -0.636 . . . . 50.0 109.282 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.9 mp -60.1 -33.24 71.83 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.438 0.903 . . . . 50.0 113.438 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.72 -33.12 71.21 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.479 -0.888 . . . . 50.0 111.285 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.76 -13.96 60.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.69 -0.631 . . . . 50.0 110.671 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -90.2 5.67 46.03 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.213 -0.662 . . . . 50.0 109.213 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.4 t -118.76 -42.0 2.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.888 0.852 . . . . 50.0 109.164 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t30 . . . . . 0 C--O 1.208 -1.097 0 CA-C-O 124.606 2.146 . . . . 25.0 110.447 175.883 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.7 t80 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 123.176 1.465 . . . . 25.0 114.51 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -128.87 139.5 51.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 120.718 -1.239 . . . . 25.0 109.119 174.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.39 127.82 33.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.385 -0.825 . . . . 50.0 110.269 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -163.93 176.61 9.26 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.854 -1.535 . . . . 50.0 106.854 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -73.72 132.32 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.323 -1.362 . . . . 50.0 107.323 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.7 mt -135.29 139.6 44.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.479 -0.934 . . . . 50.0 108.479 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.24 162.46 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.423 -0.584 . . . . 50.0 109.423 -177.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.0 -137.93 16.73 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 115.529 0.972 . . . . 25.0 115.529 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -27.96 67.06 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -38.05 82.83 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.55 -0.719 . . . . 50.0 109.726 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.77 -44.78 92.4 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 110.023 -0.362 . . . . 50.0 110.023 174.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.73 -42.23 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.23 -0.441 . . . . 50.0 110.488 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -60.22 -45.63 92.54 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.331 -0.148 . . . . 50.0 110.616 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.74 98.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.526 -0.47 . . . . 25.0 110.766 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.33 -36.15 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 50.0 111.268 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.82 -40.58 88.07 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.171 -0.33 . . . . 25.0 110.672 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.8 mt -67.57 -41.49 84.09 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.546 -0.721 . . . . 50.0 110.157 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.9 p -79.84 -33.13 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.775 1.028 . . . . 50.0 113.775 -179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -122.04 -32.86 3.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.435 2.383 . . . . 50.0 117.435 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.82 -44.26 80.65 Favored Glycine 0 C--O 1.222 -0.645 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -72.08 -15.51 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.411 0.625 . . . . 50.0 111.412 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -79.32 -20.31 48.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.561 -0.745 . . . . 50.0 111.002 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.36 19.42 9.38 Favored Glycine 0 C--O 1.226 -0.362 0 CA-C-N 115.519 -0.764 . . . . 25.0 114.306 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.92 -130.53 3.87 Favored Glycine 0 C--O 1.23 -0.15 0 N-CA-C 109.872 -1.291 . . . . 25.0 109.872 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 t80 68.85 168.54 0.28 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.522 1.129 . . . . 50.0 114.025 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -117.41 -12.51 10.43 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 112.996 0.739 . . . . 50.0 112.996 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -79.61 80.31 3.11 Favored 'Trans proline' 0 C--N 1.398 3.141 0 C-N-CA 122.082 1.855 . . . . 25.0 112.449 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.491 1.614 0 C-N-CA 128.427 2.691 . . . . 25.0 115.859 -179.151 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.759 0 CA-C-O 122.756 1.198 . . . . 25.0 114.073 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tp -164.62 -37.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 114.495 -0.853 . . . . 25.0 111.214 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.38 -48.59 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.182 -0.463 . . . . 50.0 112.112 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -79.69 13.33 2.14 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -114.92 -45.55 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 50.0 109.991 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 m -93.83 -35.82 12.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.826 1.417 . . . . 50.0 114.826 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.5 -26.75 38.0 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.444 -0.947 . . . . 50.0 108.444 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.4 m -96.81 -42.92 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.091 0.774 . . . . 25.0 113.091 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -115.81 -177.01 3.06 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.167 -0.333 . . . . 50.0 110.327 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.21 130.13 39.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 107.43 -1.322 . . . . 50.0 107.43 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -128.89 152.49 48.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.771 0.32 . . . . 25.0 110.352 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -121.19 168.73 11.27 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.312 -0.995 . . . . 50.0 108.312 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.56 -33.71 64.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.546 0.689 . . . . 50.0 112.064 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -57.89 -44.19 86.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 50.0 111.031 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -74.96 -41.12 60.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.357 -0.609 . . . . 50.0 109.357 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -52.52 -39.14 61.01 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.139 0.576 . . . . 50.0 111.478 -178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.77 -31.89 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.817 1.043 . . . . 50.0 113.817 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.17 -19.7 64.0 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.309 -0.869 . . . . 50.0 111.026 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -87.43 -3.47 59.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.945 0.402 . . . . 50.0 109.935 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.7 m -84.2 -7.13 59.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.193 0.997 . . . . 50.0 109.991 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 . . . . . 0 C--O 1.21 -0.997 0 CA-C-O 125.172 2.415 . . . . 25.0 110.715 177.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 123.291 1.52 . . . . 25.0 114.846 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 p -126.69 142.76 42.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 173.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -76.06 130.56 38.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.854 -0.612 . . . . 50.0 109.579 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -166.13 -179.66 5.24 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.141 -0.689 . . . . 50.0 109.141 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -80.27 79.67 6.81 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.401 0.438 . . . . 50.0 111.241 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -77.13 133.64 38.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 50.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -144.92 162.45 36.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.278 -0.419 . . . . 50.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.44 -136.34 27.07 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -30.26 69.82 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.341 -0.505 . . . . 25.0 111.262 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.44 87.19 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.938 -0.476 . . . . 50.0 109.741 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -43.44 94.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.374 -0.602 . . . . 50.0 109.374 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -41.91 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.901 -0.319 . . . . 50.0 110.357 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.25 -41.61 97.21 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 122.26 -0.275 . . . . 50.0 110.625 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.1 -46.2 88.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.43 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.95 -39.0 87.85 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.904 0.383 . . . . 50.0 110.111 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -65.4 -44.03 88.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.663 -0.244 . . . . 25.0 111.223 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.07 -39.62 78.99 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.1 -0.64 . . . . 50.0 111.826 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.7 p -79.49 -34.75 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 112.341 0.497 . . . . 50.0 112.341 -177.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 m -129.97 -35.86 1.6 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 115.196 1.554 . . . . 50.0 115.196 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.02 -26.72 67.73 Favored Glycine 0 C--O 1.218 -0.871 0 C-N-CA 120.485 -0.864 . . . . 25.0 112.211 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.81 11.94 10.14 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.726 0.639 . . . . 50.0 112.726 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.79 -42.32 0.59 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.125 0.787 . . . . 50.0 113.125 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.67 131.77 2.53 Favored Glycine 0 C--O 1.223 -0.58 0 N-CA-C 107.32 -2.312 . . . . 25.0 107.32 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.98 74.26 0.74 Allowed Glycine 0 N--CA 1.462 0.379 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -148.54 138.02 21.99 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.658 -1.608 . . . . 50.0 106.658 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -109.31 -2.5 17.81 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.498 0.555 . . . . 50.0 112.498 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.75 83.57 1.91 Allowed 'Trans proline' 0 C--N 1.395 2.996 0 C-N-CA 121.852 1.702 . . . . 25.0 112.829 174.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.032 0 C-N-CA 127.574 2.35 . . . . 25.0 110.711 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.459 0 CA-C-O 123.298 1.499 . . . . 25.0 114.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.7 tt -57.31 -32.71 41.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 121.8 -0.824 . . . . 25.0 112.054 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.84 -49.91 79.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.563 -0.71 . . . . 50.0 109.39 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.74 -26.18 61.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -87.52 -24.63 24.01 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.959 1.096 . . . . 50.0 113.959 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.7 t -119.83 -40.63 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 114.968 1.47 . . . . 50.0 114.968 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 t -78.18 -55.24 5.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.812 -1.181 . . . . 50.0 107.812 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -72.25 -42.69 65.37 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 m -112.71 -176.75 2.98 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.032 -0.417 . . . . 50.0 111.659 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.05 122.88 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.315 -0.994 . . . . 50.0 108.315 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -107.99 156.36 19.31 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.385 0.612 . . . . 25.0 110.36 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -123.87 159.42 29.67 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.114 -1.439 . . . . 50.0 107.114 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.45 -32.88 63.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.608 0.363 . . . . 50.0 111.91 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.53 -43.96 96.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 50.0 111.902 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -72.46 -37.06 68.61 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.084 -0.71 . . . . 50.0 109.084 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.95 -32.26 70.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.177 -0.609 . . . . 50.0 112.047 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.06 -35.3 73.11 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.851 -0.531 . . . . 50.0 111.226 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.21 -16.89 61.96 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.682 -0.636 . . . . 50.0 110.969 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -94.37 1.2 55.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 50.0 109.941 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.0 t -102.12 -47.93 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.493 -1.299 . . . . 50.0 107.493 175.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 123.158 1.456 . . . . 25.0 112.283 177.528 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 115.266 1.58 . . . . 25.0 115.266 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.06 136.65 55.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 O-C-N 120.911 -1.118 . . . . 25.0 108.557 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -71.74 127.03 31.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.949 -0.569 . . . . 50.0 110.912 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -166.26 177.63 6.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.257 -1.386 . . . . 50.0 107.257 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -75.71 130.42 38.66 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.385 -0.969 . . . . 50.0 108.385 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.7 mt -136.57 140.24 42.75 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.454 -1.313 . . . . 50.0 107.454 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.91 165.78 30.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.65 -138.37 24.59 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.849 0.7 . . . . 25.0 114.849 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -59.54 -27.59 66.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -37.62 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.922 -0.486 . . . . 50.0 110.735 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -47.19 83.96 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.249 -0.648 . . . . 50.0 109.249 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.64 -42.68 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.288 -0.414 . . . . 50.0 110.525 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.77 -43.93 97.4 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 122.038 -0.413 . . . . 50.0 111.851 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.2 95.4 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -36.21 83.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.277 0.56 . . . . 50.0 109.888 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -65.72 -43.31 89.47 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.903 -0.498 . . . . 25.0 110.887 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.51 -41.63 92.94 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.649 -0.657 . . . . 50.0 110.903 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -77.81 -36.74 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.266 0.839 . . . . 50.0 113.266 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 t -122.5 -40.64 2.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.831 1.419 . . . . 50.0 114.831 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.01 -35.04 86.0 Favored Glycine 0 C--N 1.318 -0.422 0 C-N-CA 120.378 -0.915 . . . . 25.0 112.262 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -72.66 -6.54 45.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.716 0.636 . . . . 50.0 112.716 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.6 -27.62 10.25 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.017 -0.427 . . . . 50.0 111.514 177.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.97 140.66 5.87 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 109.47 -1.452 . . . . 25.0 109.47 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.55 21.87 8.06 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 115.206 0.842 . . . . 25.0 115.206 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -79.68 152.33 29.99 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.493 0.647 . . . . 50.0 111.876 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -110.87 -2.33 16.13 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.607 0.965 . . . . 50.0 113.607 -175.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -80.35 83.8 2.15 Favored 'Trans proline' 0 C--N 1.394 2.965 0 C-N-CA 122.257 1.971 . . . . 25.0 112.487 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 125.177 2.417 . . . . 25.0 111.945 -179.098 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.488 0 CA-C-O 123.163 1.424 . . . . 25.0 116.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -55.7 -34.73 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.157 -1.202 . . . . 25.0 112.612 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.08 -38.55 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 O-C-N 121.389 -0.82 . . . . 50.0 110.775 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.34 -28.14 61.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.161 0.505 . . . . 25.0 111.303 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.1 -37.88 21.46 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 112.875 0.694 . . . . 50.0 112.875 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -104.71 -42.21 5.45 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.9 1.445 . . . . 50.0 114.9 -174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -76.88 -56.67 4.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 118.664 -1.214 . . . . 50.0 108.357 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -69.18 -43.68 73.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -116.32 -173.2 2.32 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.148 -0.345 . . . . 50.0 111.32 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -93.61 133.51 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.245 -1.391 . . . . 50.0 107.245 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -132.66 160.26 37.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.375 0.607 . . . . 25.0 110.123 175.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -116.07 166.89 11.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.223 -0.899 . . . . 50.0 110.585 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -28.12 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.158 -0.474 . . . . 50.0 111.544 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.68 -44.37 93.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.343 0.592 . . . . 50.0 110.318 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.02 -36.99 69.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.237 -0.653 . . . . 50.0 109.237 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.56 -39.56 76.96 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.553 -0.459 . . . . 50.0 111.43 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.09 -30.24 67.95 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.008 0.744 . . . . 50.0 113.008 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -72.52 -18.59 61.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.215 -0.928 . . . . 50.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -85.31 -4.74 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.072 -0.393 . . . . 50.0 110.126 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.7 m -95.12 -9.89 32.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.399 1.095 . . . . 50.0 109.623 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t30 . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 125.045 2.355 . . . . 25.0 111.94 -175.652 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.3 t80 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 123.202 1.477 . . . . 25.0 114.806 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.17 146.66 28.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 173.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.97 135.26 44.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.432 -1.321 . . . . 50.0 107.432 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -168.13 177.99 5.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.867 -1.531 . . . . 50.0 106.867 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -78.11 133.75 37.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.35 -1.352 . . . . 50.0 107.35 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -135.21 137.32 42.52 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.924 -1.139 . . . . 50.0 107.924 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.6 162.72 39.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.893 -0.41 . . . . 50.0 109.893 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.46 -138.95 16.63 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 115.716 1.047 . . . . 25.0 115.716 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -28.34 67.1 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.445 -0.378 . . . . 25.0 112.019 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -69.22 -36.41 77.2 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 122.079 -0.388 . . . . 50.0 110.529 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.76 -46.74 86.61 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.563 -0.903 . . . . 50.0 108.563 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.55 -38.47 82.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 120.692 -0.403 . . . . 50.0 110.79 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.7 -43.89 97.64 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.956 -0.465 . . . . 50.0 111.352 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.17 97.73 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.38 -36.82 83.47 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.471 -0.331 . . . . 50.0 110.636 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -65.68 -42.22 91.5 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.718 -0.614 . . . . 25.0 110.578 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.9 -38.6 86.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.281 -0.568 . . . . 50.0 110.857 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -83.83 -33.63 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 114.33 1.233 . . . . 50.0 114.33 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -125.88 -26.94 3.38 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 115.467 1.655 . . . . 50.0 115.467 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.6 -30.04 69.09 Favored Glycine 0 C--O 1.222 -0.649 0 N-CA-C 109.39 -1.484 . . . . 25.0 109.39 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -88.13 11.5 16.08 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.945 0.498 . . . . 50.0 110.973 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.98 -33.37 2.0 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.105 0.78 . . . . 50.0 113.105 -176.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.49 131.21 5.75 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 109.0 -1.64 . . . . 25.0 109.0 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.3 53.37 0.54 Allowed Glycine 0 C--O 1.225 -0.44 0 CA-C-O 121.139 0.299 . . . . 25.0 112.452 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -116.74 143.87 45.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.806 -0.812 . . . . 50.0 108.806 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -113.3 -3.31 13.84 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.145 0.794 . . . . 50.0 113.145 -174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.93 88.26 1.47 Allowed 'Trans proline' 0 C--N 1.396 3.066 0 C-N-CA 121.81 1.673 . . . . 25.0 111.792 173.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 126.542 3.068 . . . . 25.0 113.355 -178.459 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.583 0 CA-C-O 123.871 1.817 . . . . 25.0 114.133 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt -54.62 -33.96 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 120.693 -1.475 . . . . 25.0 114.251 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -65.77 -44.77 93.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.399 -0.964 . . . . 50.0 108.399 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.26 -15.52 60.98 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.101 -0.5 . . . . 25.0 112.305 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -90.38 -39.64 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.147 0.425 . . . . 50.0 112.147 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.03 -40.56 4.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.307 1.225 . . . . 50.0 114.307 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -77.77 -17.08 57.91 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.027 -0.669 . . . . 50.0 109.743 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -106.96 -56.16 2.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.389 -0.368 . . . . 25.0 111.78 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -175.92 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.782 -0.574 . . . . 50.0 111.556 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mm -86.48 133.39 29.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.407 -1.701 . . . . 50.0 106.407 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -133.0 160.62 36.63 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -126.47 175.36 7.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 50.0 109.874 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.33 -32.68 62.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.512 -0.767 . . . . 50.0 111.706 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.73 -48.77 80.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.513 . . . . 50.0 111.363 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.73 -41.49 83.37 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 120.167 -0.613 . . . . 50.0 109.469 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.49 -35.8 72.78 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.907 0.706 . . . . 50.0 112.907 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -61.45 -29.81 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.296 -0.561 . . . . 50.0 111.578 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -71.02 -17.1 62.64 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.432 -0.792 . . . . 50.0 110.485 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -95.63 -1.86 49.38 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 121.217 0.532 . . . . 50.0 109.689 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.1 t -99.5 -41.24 7.46 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.601 -0.888 . . . . 50.0 108.601 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 126.201 2.905 . . . . 25.0 112.898 178.208 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 114.394 1.257 . . . . 25.0 114.394 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.63 143.88 39.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 O-C-N 120.804 -1.185 . . . . 25.0 107.885 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -78.84 125.66 29.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.425 -0.954 . . . . 50.0 108.425 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -163.07 177.76 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.288 -1.375 . . . . 50.0 107.288 -174.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -76.21 134.38 39.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.087 -1.449 . . . . 50.0 107.087 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.4 mt -138.01 143.25 40.52 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.366 -0.605 . . . . 50.0 109.366 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.9 164.5 36.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.579 -0.282 . . . . 50.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.72 -140.08 16.21 Favored Glycine 0 C--O 1.221 -0.662 0 N-CA-C 116.351 1.3 . . . . 25.0 116.351 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -60.14 -26.72 66.5 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.484 -0.421 . . . . 25.0 111.846 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -38.49 81.16 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.874 -0.516 . . . . 50.0 110.17 176.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -44.67 94.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.071 -0.714 . . . . 50.0 109.071 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.96 -43.24 97.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.312 -0.403 . . . . 50.0 110.162 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.58 -45.15 95.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 118.149 0.431 . . . . 50.0 110.67 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.781 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.863 0.363 . . . . 50.0 111.32 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.79 -40.04 83.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.286 -0.258 . . . . 25.0 110.811 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -68.85 -38.52 79.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.056 -0.403 . . . . 50.0 111.307 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.55 -34.05 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.318 0.859 . . . . 50.0 113.318 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 t -131.08 -23.71 2.43 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 116.74 2.126 . . . . 50.0 116.74 -172.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.67 -29.42 72.77 Favored Glycine 0 C--O 1.218 -0.875 0 C-N-CA 120.46 -0.876 . . . . 25.0 111.796 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -94.8 23.55 5.39 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.779 0.8 . . . . 50.0 110.555 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -136.18 -36.46 0.74 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.73 -0.668 . . . . 50.0 111.513 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -127.78 -139.01 4.77 Favored Glycine 0 C--O 1.216 -1.025 0 N-CA-C 110.193 -1.163 . . . . 25.0 110.193 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.57 -26.65 8.49 Favored Glycine 0 C--O 1.225 -0.417 0 CA-C-N 114.425 -0.888 . . . . 25.0 114.862 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.9 t80 59.32 -167.08 0.17 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.358 0.663 . . . . 50.0 111.641 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -140.92 -13.52 0.94 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -81.09 83.62 2.16 Favored 'Trans proline' 0 C--N 1.389 2.711 0 C-N-CA 122.147 1.898 . . . . 25.0 112.919 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.498 1.926 0 CA-C-O 126.279 2.942 . . . . 25.0 113.924 -178.81 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 CA-C-O 123.104 1.391 . . . . 25.0 116.199 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp -54.69 -33.31 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 121.338 -1.095 . . . . 25.0 113.047 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.79 -44.51 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 O-C-N 121.901 -0.5 . . . . 50.0 111.102 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.71 -30.84 68.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.404 0.621 . . . . 25.0 111.273 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -77.4 -41.63 39.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.732 -0.667 . . . . 50.0 112.76 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.8 m -106.99 -38.48 6.02 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 116.158 1.91 . . . . 50.0 116.158 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -80.31 -53.1 6.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.75 -1.574 . . . . 50.0 106.75 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 m -72.26 -42.7 65.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.105 -0.952 . . . . 25.0 112.441 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -118.22 -173.17 2.4 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 120.7 0.286 . . . . 50.0 111.269 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.8 mm -94.94 133.44 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.56 -1.274 . . . . 50.0 107.56 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -135.17 160.5 38.17 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -127.29 177.39 6.74 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.587 -0.523 . . . . 50.0 109.587 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -30.96 64.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.665 0.386 . . . . 50.0 111.69 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -60.78 -46.29 91.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.365 0.602 . . . . 50.0 110.342 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -71.08 -42.85 68.84 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 107.694 -1.224 . . . . 50.0 107.694 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.4 -36.75 69.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.4 1.259 . . . . 50.0 114.4 -176.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.34 -30.82 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.287 0.477 . . . . 50.0 112.287 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -70.47 -15.6 62.83 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.849 -0.532 . . . . 50.0 111.096 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -96.37 9.35 41.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.521 0.677 . . . . 50.0 109.941 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.87 -40.71 2.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.19 -0.914 . . . . 50.0 111.216 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.2 t30 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 126.369 2.985 . . . . 25.0 112.016 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 123.347 1.546 . . . . 25.0 114.043 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.53 138.01 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.229 -0.896 . . . . 25.0 109.312 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -79.39 132.33 36.37 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.296 -1.002 . . . . 50.0 108.296 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -166.46 177.39 6.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.669 -1.604 . . . . 50.0 106.669 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -73.92 132.78 42.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.143 -1.058 . . . . 50.0 108.143 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.9 mt -135.12 131.85 37.37 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.568 -1.271 . . . . 50.0 107.568 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -144.78 161.9 38.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.726 . . . . 50.0 109.038 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.4 -136.94 21.17 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 116.141 1.216 . . . . 25.0 116.141 177.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -61.17 -29.71 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.483 -0.358 . . . . 25.0 111.784 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -41.44 97.91 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.66 -0.496 . . . . 50.0 109.66 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -44.97 88.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.441 -0.345 . . . . 50.0 110.389 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.77 -41.79 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 121.011 -0.276 . . . . 50.0 110.28 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -62.55 -41.21 98.76 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 122.012 -0.43 . . . . 50.0 111.544 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.32 93.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.661 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.16 -36.86 83.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.611 0.569 . . . . 50.0 110.998 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -66.13 -41.09 90.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.097 0.475 . . . . 25.0 111.698 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.61 -39.89 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.57 -0.706 . . . . 50.0 111.945 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.56 -36.83 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.566 0.58 . . . . 50.0 112.566 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.83 -26.63 2.18 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 117.494 2.405 . . . . 50.0 117.494 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.66 -37.78 92.72 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 120.167 -1.016 . . . . 25.0 110.931 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -79.53 -7.7 58.65 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.649 0.737 . . . . 50.0 110.484 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -99.65 9.28 43.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.267 -0.878 . . . . 50.0 109.896 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.95 17.9 73.68 Favored Glycine 0 N--CA 1.463 0.451 0 N-CA-C 116.474 1.35 . . . . 25.0 116.474 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.55 71.1 0.45 Allowed Glycine 0 C--N 1.319 -0.391 0 CA-C-O 119.654 -0.526 . . . . 25.0 112.024 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -126.84 151.15 48.73 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 117.102 0.451 . . . . 50.0 111.514 -179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -114.11 -4.54 13.13 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.397 0.518 . . . . 50.0 112.397 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -80.73 80.44 3.02 Favored 'Trans proline' 0 C--N 1.392 2.863 0 C-N-CA 122.075 1.85 . . . . 25.0 112.355 174.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 124.689 2.185 . . . . 25.0 109.515 176.437 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 CA-C-O 122.738 1.188 . . . . 25.0 114.935 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -57.38 -30.99 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.021 -1.282 . . . . 25.0 112.305 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.13 -46.98 86.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 121.656 -0.653 . . . . 50.0 110.474 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -72.01 -31.33 66.1 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.338 -0.851 . . . . 25.0 111.722 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -37.35 60.36 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.66 0.615 . . . . 50.0 112.66 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.1 m -111.51 -40.72 4.28 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 116.263 1.949 . . . . 50.0 116.263 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.1 m -74.91 -52.21 11.85 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.873 -1.899 . . . . 50.0 105.873 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -75.86 -43.6 44.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -116.08 -176.1 2.88 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.353 0.871 . . . . 50.0 113.353 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -91.41 130.72 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.504 -1.295 . . . . 50.0 107.504 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -129.7 155.6 45.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 m -118.45 162.52 18.19 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.874 -1.057 . . . . 50.0 109.879 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -33.99 58.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.612 -0.722 . . . . 50.0 111.759 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -58.83 -45.91 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.572 . . . . 50.0 111.956 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -76.26 -34.52 59.15 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 119.483 -0.887 . . . . 50.0 109.568 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 mp -54.95 -38.23 67.46 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.679 0.622 . . . . 50.0 112.679 -179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -53.62 -36.5 62.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.994 0.368 . . . . 50.0 111.994 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -67.99 -25.94 65.66 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.584 -0.697 . . . . 50.0 111.145 -177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -81.45 -9.67 59.67 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 110.075 -0.343 . . . . 50.0 110.075 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.7 t -92.6 -35.64 13.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.15 -1.056 . . . . 50.0 108.15 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 t30 . . . . . 0 C--O 1.213 -0.846 0 CA-C-O 123.248 1.499 . . . . 25.0 113.658 177.479 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 123.069 1.414 . . . . 25.0 113.992 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -114.76 146.97 18.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 173.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.92 136.28 43.31 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.352 -0.981 . . . . 50.0 108.352 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -167.9 178.69 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.245 -1.391 . . . . 50.0 107.245 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -77.54 134.89 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.162 -1.422 . . . . 50.0 107.162 171.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.9 mt -136.58 136.85 39.59 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.292 -1.003 . . . . 50.0 108.292 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -153.64 164.39 38.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.488 -0.56 . . . . 50.0 109.488 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.73 29.96 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 114.621 0.608 . . . . 25.0 114.621 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -30.27 69.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.587 -0.307 . . . . 25.0 111.528 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -64.21 -38.55 91.46 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.056 -0.403 . . . . 50.0 110.586 175.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -42.86 90.94 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.689 -0.485 . . . . 50.0 109.689 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.3 -43.5 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-O 120.79 0.329 . . . . 50.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -59.97 -44.28 94.57 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.842 0.353 . . . . 50.0 110.589 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.23 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 25.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.24 -37.72 88.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.466 . . . . 50.0 110.898 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -66.28 -40.86 90.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.009 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.2 -41.6 85.55 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.7 -0.625 . . . . 50.0 110.79 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.3 p -79.61 -33.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.376 0.88 . . . . 50.0 113.376 -177.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.44 -34.21 2.72 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.939 1.829 . . . . 50.0 115.939 -175.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.63 -33.78 88.14 Favored Glycine 0 C--O 1.216 -1.014 0 C-N-CA 120.344 -0.932 . . . . 25.0 112.413 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -81.13 14.23 2.42 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 121.484 0.659 . . . . 50.0 111.917 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -124.67 -28.45 3.55 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.126 0.57 . . . . 50.0 112.034 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.21 -131.87 3.1 Favored Glycine 0 C--O 1.216 -0.979 0 N-CA-C 111.04 -0.824 . . . . 25.0 111.04 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.22 -24.57 5.91 Favored Glycine 0 C--O 1.224 -0.503 0 N-CA-C 115.29 0.876 . . . . 25.0 115.29 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.5 t80 64.76 -179.9 0.18 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.145 0.978 . . . . 50.0 111.761 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -126.65 -0.23 6.79 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.295 0.569 . . . . 50.0 111.76 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.97 77.2 4.17 Favored 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.276 1.984 . . . . 25.0 112.269 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 124.936 2.303 . . . . 25.0 110.11 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 CA-C-O 122.984 1.324 . . . . 25.0 114.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp -56.68 -32.25 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 121.345 -1.091 . . . . 25.0 112.627 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.1 t -67.03 -43.0 89.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 121.866 -0.521 . . . . 50.0 109.802 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.92 -36.66 72.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.011 0.91 . . . . 25.0 109.62 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -67.03 -42.57 84.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.595 -0.73 . . . . 50.0 112.693 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -110.24 -35.26 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 116.071 1.878 . . . . 50.0 116.071 -173.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.74 -51.2 8.93 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.52 -1.659 . . . . 50.0 106.52 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -72.65 -48.86 35.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.686 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -114.24 -176.13 2.83 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.534 -0.729 . . . . 50.0 111.993 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.51 132.62 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.035 -1.469 . . . . 50.0 107.035 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.47 164.35 21.33 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -129.95 164.48 24.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.325 -0.991 . . . . 50.0 108.325 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.94 -33.7 64.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.103 0.477 . . . . 50.0 112.209 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.31 -45.26 91.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 50.0 110.948 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.0 -41.05 74.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.269 -0.641 . . . . 50.0 109.269 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.76 -35.85 69.12 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.366 0.876 . . . . 50.0 113.366 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.436 ' HB2' ' HE2' ' A' ' 17' ' ' GLU . 88.0 mt-10 -56.83 -33.08 66.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.193 0.442 . . . . 50.0 112.193 177.413 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -67.82 -18.72 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.532 -0.73 . . . . 50.0 111.401 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -91.37 -5.76 53.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.65 -0.25 . . . . 50.0 111.127 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.9 m -74.8 -21.15 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.149 0.5 . . . . 50.0 111.869 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 123.311 1.529 . . . . 25.0 113.217 173.765 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 122.929 1.347 . . . . 25.0 114.521 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -134.57 146.45 30.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 174.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -75.05 127.6 33.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.64 . . . . 50.0 109.76 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -164.27 177.58 8.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.098 -1.445 . . . . 50.0 107.098 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -77.37 136.14 38.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.884 -1.154 . . . . 50.0 107.884 172.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -137.77 139.04 39.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.411 -0.959 . . . . 50.0 108.411 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 164.7 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.02 -140.98 21.54 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 116.267 1.267 . . . . 25.0 116.267 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 p -60.52 -31.4 70.48 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.345 -0.428 . . . . 25.0 111.106 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -37.62 88.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.911 -0.493 . . . . 50.0 110.955 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -45.34 84.61 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.55 -0.537 . . . . 50.0 109.55 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.68 -42.08 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 109.731 -0.47 . . . . 50.0 109.731 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.17 -44.45 96.57 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 122.426 -0.171 . . . . 50.0 111.185 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.01 99.55 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.017 -0.427 . . . . 25.0 110.787 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.76 -38.46 90.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 50.0 110.994 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -65.19 -40.4 94.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.843 -0.535 . . . . 25.0 111.047 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.511 -0.743 . . . . 50.0 110.853 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -78.86 -35.95 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 50.0 113.311 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 m -120.26 -38.4 2.92 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 116.961 2.208 . . . . 50.0 116.961 -175.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.82 -31.65 81.62 Favored Glycine 0 C--O 1.22 -0.74 0 C-N-CA 120.462 -0.875 . . . . 25.0 112.14 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -85.05 1.01 49.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.919 0.39 . . . . 50.0 111.555 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 -109.0 -37.63 5.78 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.02 0.528 . . . . 50.0 110.741 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.08 117.55 1.74 Allowed Glycine 0 C--O 1.225 -0.448 0 N-CA-C 109.908 -1.277 . . . . 25.0 109.908 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.61 108.3 2.63 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 121.134 -0.555 . . . . 25.0 113.481 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -157.39 156.36 32.12 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.273 -1.751 . . . . 50.0 106.273 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -97.4 -3.46 40.16 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 120.823 0.344 . . . . 50.0 111.573 -176.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -81.22 73.98 5.69 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 122.36 2.04 . . . . 25.0 112.724 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 125.248 2.451 . . . . 25.0 110.266 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 CA-C-O 123.091 1.384 . . . . 25.0 116.196 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -54.51 -34.82 29.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 O-C-N 121.479 -1.012 . . . . 25.0 112.624 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.32 -46.66 89.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.137 -0.977 . . . . 50.0 110.444 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.2 -27.76 64.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.077 0.465 . . . . 25.0 111.12 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.44 -30.45 17.34 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 114.056 1.132 . . . . 50.0 114.056 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.7 m -109.78 -37.34 5.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.564 1.69 . . . . 50.0 115.564 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -79.78 -54.99 5.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.365 -1.717 . . . . 50.0 106.365 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -70.58 -44.56 67.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.598 -0.728 . . . . 25.0 112.529 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -114.69 -176.98 3.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.033 0.444 . . . . 50.0 112.027 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -91.54 132.4 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.082 -1.451 . . . . 50.0 107.082 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -129.51 150.99 50.61 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.1 t -110.1 161.78 15.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.951 -1.129 . . . . 50.0 107.951 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -55.01 -34.04 63.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.44 0.638 . . . . 50.0 111.161 178.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 50.0 111.575 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -78.71 -37.06 42.47 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.171 -0.442 . . . . 50.0 110.829 176.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.77 -37.47 63.48 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.557 0.617 . . . . 50.0 109.838 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.89 -33.35 68.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.276 0.843 . . . . 50.0 113.276 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.66 -20.8 65.35 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.854 -0.529 . . . . 50.0 111.214 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -89.28 -9.01 52.22 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 120.868 0.366 . . . . 50.0 110.872 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.8 t -84.72 -50.42 7.63 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.061 -1.459 . . . . 50.0 107.061 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.3 t30 . . . . . 0 C--O 1.208 -1.117 0 CA-C-N 114.378 -1.283 . . . . 25.0 113.842 177.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 123.642 1.687 . . . . 25.0 115.03 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.72 133.55 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -73.29 125.29 27.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.021 -1.103 . . . . 50.0 108.021 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -164.21 176.81 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.13 -1.063 . . . . 50.0 108.13 -171.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -74.48 132.0 41.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.579 -0.897 . . . . 50.0 108.579 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -139.12 138.47 37.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.732 -0.84 . . . . 50.0 108.732 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.67 168.62 23.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.876 -0.416 . . . . 50.0 109.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.49 -141.9 37.77 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-O 122.406 1.004 . . . . 25.0 115.283 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -28.2 69.05 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 114.754 -0.723 . . . . 25.0 111.448 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -68.35 -36.91 79.94 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.612 -0.68 . . . . 50.0 109.86 176.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -44.28 92.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.147 -0.316 . . . . 50.0 110.147 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.6 -43.23 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.475 -0.565 . . . . 50.0 109.475 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.55 -44.73 89.77 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 122.131 -0.356 . . . . 50.0 110.733 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.48 89.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.582 -0.447 . . . . 25.0 110.269 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -36.22 82.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 50.0 111.262 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.38 -40.99 85.72 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.165 -0.334 . . . . 25.0 110.902 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -66.58 -41.73 88.07 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.651 -0.656 . . . . 50.0 110.899 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.82 -33.79 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 N-CA-C 113.349 0.87 . . . . 50.0 113.349 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.98 -32.64 2.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 116.016 1.858 . . . . 50.0 116.016 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -36.58 93.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.237 -0.982 . . . . 25.0 112.825 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.38 -25.37 62.34 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.711 0.291 . . . . 50.0 111.64 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -73.84 -33.77 64.27 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.081 -0.387 . . . . 50.0 111.101 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.64 139.49 5.66 Favored Glycine 0 C--O 1.212 -1.243 0 N-CA-C 109.691 -1.364 . . . . 25.0 109.691 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.74 26.35 8.08 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 115.986 1.154 . . . . 25.0 115.986 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -77.84 150.59 34.18 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.725 -0.868 . . . . 50.0 110.691 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -99.08 -4.27 32.74 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.724 0.639 . . . . 50.0 112.724 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -80.83 74.88 5.33 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 121.958 1.772 . . . . 25.0 113.413 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.21 -1.022 0 CA-C-O 124.501 2.096 . . . . 25.0 112.677 -173.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.128 0 N-CA-C 116.101 1.201 . . . . 25.0 116.101 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -56.24 -32.93 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 120.681 -1.482 . . . . 25.0 112.04 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.26 -45.05 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 121.406 -0.809 . . . . 50.0 109.015 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.26 -21.4 61.38 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 121.61 0.719 . . . . 25.0 112.523 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -90.68 -36.07 14.57 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.065 0.765 . . . . 50.0 113.065 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.7 m -109.32 -41.07 4.74 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.407 1.262 . . . . 50.0 114.407 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.0 -51.67 20.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.298 -1.371 . . . . 50.0 107.298 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m -75.37 -43.53 49.85 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -117.5 -176.05 2.94 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.434 0.901 . . . . 50.0 113.434 -174.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mm -91.28 131.36 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.242 -1.392 . . . . 50.0 107.242 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.99 156.9 48.24 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -116.35 173.21 6.72 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.985 -0.746 . . . . 50.0 108.985 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -56.83 -30.73 64.04 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.813 -0.63 . . . . 50.0 111.428 178.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.01 -47.58 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 50.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.38 -39.81 81.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.926 -0.768 . . . . 50.0 108.926 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.12 -36.78 73.43 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.863 -0.523 . . . . 50.0 112.229 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.69 -30.21 68.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.882 -0.58 . . . . 50.0 111.836 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -68.47 -20.68 64.62 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.649 0.738 . . . . 50.0 110.994 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -90.61 6.04 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.287 -0.869 . . . . 50.0 110.779 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.2 t -121.35 -42.85 2.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.964 0.888 . . . . 50.0 110.626 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 125.963 1.705 . . . . 25.0 111.294 -177.605 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 123.278 1.513 . . . . 25.0 114.555 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.9 p -123.73 141.81 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 107.435 -1.32 . . . . 25.0 107.435 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -74.7 129.21 37.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.255 0.55 . . . . 50.0 109.704 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -164.96 177.04 8.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 107.287 -1.375 . . . . 50.0 107.287 -172.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -74.34 133.36 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.077 -1.453 . . . . 50.0 107.077 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 32.1 mt -134.64 136.15 42.65 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.422 -0.955 . . . . 50.0 108.422 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.33 163.82 37.36 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.54 -139.03 12.55 Favored Glycine 0 N--CA 1.463 0.5 0 N-CA-C 115.952 1.141 . . . . 25.0 115.952 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -27.9 68.36 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.974 -0.721 . . . . 25.0 111.316 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -67.48 -37.86 83.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.367 -0.833 . . . . 50.0 110.754 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.71 -44.81 92.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.576 -0.898 . . . . 50.0 108.576 174.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.66 -43.75 97.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.056 -0.35 . . . . 50.0 110.056 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.89 -45.05 91.17 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.785 -0.572 . . . . 50.0 111.026 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.61 98.72 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.744 -0.383 . . . . 25.0 110.397 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.88 -36.59 84.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.222 0.534 . . . . 50.0 112.222 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -68.17 -41.72 81.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.455 -0.338 . . . . 25.0 110.22 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.21 -41.31 86.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.831 -0.543 . . . . 50.0 110.487 -177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.05 -33.46 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.761 -0.776 . . . . 50.0 112.893 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 t -124.69 -33.46 2.97 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 116.715 2.116 . . . . 50.0 116.715 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.418 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -61.79 -38.78 96.52 Favored Glycine 0 N--CA 1.466 0.661 0 C-N-CA 120.427 -0.892 . . . . 25.0 111.831 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.69 -9.87 58.92 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.149 0.796 . . . . 50.0 113.149 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -77.19 -26.22 52.63 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.683 -0.636 . . . . 50.0 111.493 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.21 81.91 1.1 Allowed Glycine 0 CA--C 1.528 0.853 0 CA-C-N 115.627 -0.715 . . . . 25.0 113.282 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.61 -117.43 0.71 Allowed Glycine 0 C--O 1.221 -0.694 0 N-CA-C 109.793 -1.323 . . . . 25.0 109.793 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.418 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 2.3 t80 67.42 178.69 0.23 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.814 1.246 . . . . 50.0 113.56 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -128.07 -26.24 2.9 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.961 -0.563 . . . . 50.0 112.271 -174.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -80.7 76.21 4.64 Favored 'Trans proline' 0 C--N 1.401 3.3 0 C-N-CA 122.74 2.293 . . . . 25.0 112.74 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 125.786 2.708 . . . . 25.0 111.249 -173.097 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 CA-C-O 123.064 1.369 . . . . 25.0 115.4 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -56.61 -32.93 38.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 O-C-N 120.96 -1.318 . . . . 25.0 112.892 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.94 -46.4 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.466 -0.568 . . . . 50.0 109.466 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -68.98 -26.24 64.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.937 -0.477 . . . . 25.0 111.572 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -79.57 -42.42 25.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.548 0.573 . . . . 50.0 112.548 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.53 -35.72 5.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 116.323 1.971 . . . . 50.0 116.323 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.36 -48.0 16.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.471 -1.677 . . . . 50.0 106.471 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 m -72.17 -44.76 62.55 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -125.37 -176.88 3.71 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.553 -0.717 . . . . 50.0 112.58 -176.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.26 134.11 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.62 -1.622 . . . . 50.0 106.62 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -131.93 154.98 48.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -118.81 164.27 15.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.828 -0.624 . . . . 50.0 109.425 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -33.96 55.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 50.0 112.415 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.17 -39.26 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.423 -0.808 . . . . 50.0 111.394 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.86 -38.87 24.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 50.0 109.734 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.29 -37.78 65.16 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.774 -0.648 . . . . 50.0 111.881 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.87 -34.13 67.55 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.14 0.793 . . . . 50.0 113.14 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.6 -16.08 62.28 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.852 -0.53 . . . . 50.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.85 -1.05 57.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.988 -0.375 . . . . 50.0 109.988 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.1 t -99.58 -41.06 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.199 0.999 . . . . 50.0 110.004 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.2 t30 . . . . . 0 C--O 1.211 -0.952 0 CA-C-O 125.045 2.355 . . . . 25.0 111.76 -178.736 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 123.391 1.567 . . . . 25.0 114.229 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t -98.19 131.71 44.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 O-C-N 120.799 -1.188 . . . . 25.0 108.441 173.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -71.77 121.12 18.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.955 -1.128 . . . . 50.0 107.955 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -161.16 177.53 10.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.53 -1.285 . . . . 50.0 107.53 -171.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.08 132.29 43.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.757 -1.201 . . . . 50.0 107.757 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -137.44 138.88 40.25 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.198 -1.038 . . . . 50.0 108.198 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -152.26 167.22 29.32 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.916 -0.401 . . . . 50.0 109.916 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -140.84 28.07 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 115.743 1.057 . . . . 25.0 115.743 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -61.38 -29.01 69.65 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.711 -0.288 . . . . 25.0 111.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -65.22 -38.81 91.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.473 -0.767 . . . . 50.0 110.78 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -45.48 89.21 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.871 -0.418 . . . . 50.0 109.871 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.05 -42.88 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.69 -0.485 . . . . 50.0 109.69 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.77 -42.77 99.41 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.521 -0.112 . . . . 50.0 110.74 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.76 95.68 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.282 -0.567 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -38.57 90.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.521 0.677 . . . . 50.0 109.658 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -67.48 -41.77 84.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 25.0 112.17 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.07 -38.54 82.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.545 -0.722 . . . . 50.0 110.796 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.53 -38.56 22.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.096 -0.642 . . . . 50.0 112.29 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.8 t -125.88 -30.22 3.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.532 2.049 . . . . 50.0 116.532 -173.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.72 -28.01 73.56 Favored Glycine 0 C--O 1.218 -0.858 0 C-N-CA 120.031 -1.081 . . . . 25.0 111.732 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -84.4 8.79 15.09 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 122.189 -0.594 . . . . 50.0 112.195 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 -37.34 1.71 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.679 0.992 . . . . 50.0 113.679 -174.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.79 -138.04 5.33 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.534 -1.027 . . . . 25.0 110.534 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.57 -34.86 4.85 Favored Glycine 0 C--N 1.32 -0.35 0 N-CA-C 116.048 1.179 . . . . 25.0 116.048 -176.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.93 179.07 0.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.369 0.668 . . . . 50.0 112.283 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -130.78 -2.68 4.15 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.46 0.541 . . . . 50.0 112.46 -174.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -78.61 74.93 5.22 Favored 'Trans proline' 0 C--N 1.393 2.881 0 C-N-CA 122.254 1.969 . . . . 25.0 113.453 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 125.412 2.53 . . . . 25.0 110.875 -174.765 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 CA-C-O 123.157 1.421 . . . . 25.0 113.864 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -54.08 -33.91 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.748 0.819 . . . . 25.0 112.348 -176.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.82 -49.66 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 121.219 -0.926 . . . . 50.0 111.934 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -73.68 -16.78 61.19 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.267 -0.895 . . . . 25.0 111.43 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -83.86 -49.64 8.85 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 121.881 -0.512 . . . . 50.0 111.747 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -106.02 -21.9 13.02 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.281 1.586 . . . . 50.0 115.281 -169.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -86.81 -50.22 6.88 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.77 -1.567 . . . . 50.0 106.77 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.0 m -72.25 -45.89 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.631 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -114.36 -171.61 1.95 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.5 -0.556 . . . . 50.0 109.5 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 mm -95.92 133.51 36.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 C-N-CA 123.455 0.702 . . . . 50.0 110.591 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -121.28 146.82 46.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 25.0 110.401 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -106.29 168.4 9.17 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 50.0 108.462 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.88 -30.77 62.07 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.66 0.743 . . . . 50.0 111.901 177.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.42 -47.0 87.14 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.543 -0.753 . . . . 50.0 111.308 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -72.34 -38.66 68.55 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.91 -0.774 . . . . 50.0 108.91 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -56.27 -35.86 67.93 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.836 0.289 . . . . 50.0 111.741 -178.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.73 -28.3 69.33 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.084 0.772 . . . . 50.0 113.084 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -67.72 -13.16 61.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.317 -0.864 . . . . 50.0 110.559 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -100.46 8.61 43.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.303 -0.248 . . . . 50.0 110.813 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.16 -38.43 83.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.937 -0.764 . . . . 50.0 108.937 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.9 t30 . . . . . 0 C--O 1.203 -1.362 0 CA-C-O 122.978 1.371 . . . . 25.0 112.285 -179.298 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 123.941 1.829 . . . . 25.0 115.134 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.0 135.09 44.49 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -72.59 131.02 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.796 -1.187 . . . . 50.0 107.796 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -166.83 -179.6 4.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.439 -0.948 . . . . 50.0 108.439 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.3 131.95 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 105.798 -1.927 . . . . 50.0 105.798 172.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.8 mt -132.49 137.49 47.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.295 -1.372 . . . . 50.0 107.295 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.25 159.9 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.254 -0.43 . . . . 50.0 109.915 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -134.42 17.69 Favored Glycine 0 N--CA 1.466 0.691 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -30.67 69.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.039 -0.58 . . . . 25.0 111.806 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.17 -34.51 76.44 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.089 -1.007 . . . . 50.0 110.967 176.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -43.15 90.01 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.004 -0.739 . . . . 50.0 109.004 175.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.41 -41.91 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.2 -0.455 . . . . 50.0 110.263 178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.81 -44.28 94.06 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 122.238 -0.289 . . . . 50.0 111.125 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.15 95.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.066 -0.396 . . . . 25.0 110.743 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -34.14 77.58 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.597 0.237 . . . . 50.0 111.293 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -68.37 -44.37 75.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.653 -0.419 . . . . 25.0 110.766 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.634 0.731 . . . . 50.0 110.209 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.8 p -82.56 -32.81 10.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 114.501 1.297 . . . . 50.0 114.501 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -123.73 -34.18 3.07 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.184 1.92 . . . . 50.0 116.184 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -28.65 73.57 Favored Glycine 0 C--O 1.226 -0.397 0 C-N-CA 120.218 -0.991 . . . . 25.0 111.449 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -88.41 7.48 32.46 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 122.58 -0.365 . . . . 50.0 111.837 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -114.67 -39.58 3.73 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 122.047 -0.408 . . . . 50.0 111.529 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.57 126.01 1.79 Allowed Glycine 0 C--O 1.216 -1.011 0 O-C-N 123.978 0.799 . . . . 25.0 113.589 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.06 102.0 0.83 Allowed Glycine 0 C--O 1.23 -0.125 0 N-CA-C 112.329 -0.308 . . . . 25.0 112.329 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -140.43 147.86 40.33 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.372 -0.973 . . . . 50.0 108.372 176.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -105.96 -1.92 23.47 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.863 0.69 . . . . 50.0 112.863 -170.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.43 83.8 2.09 Favored 'Trans proline' 0 C--N 1.401 3.299 0 C-N-CA 122.022 1.815 . . . . 25.0 112.902 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 125.256 2.455 . . . . 25.0 110.965 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.973 0 CA-C-O 123.189 1.438 . . . . 25.0 115.32 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.1 tp -57.85 -34.53 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 O-C-N 120.504 -1.586 . . . . 25.0 111.126 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.28 -43.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.196 -0.315 . . . . 50.0 111.17 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -70.05 -28.14 65.21 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.211 -0.931 . . . . 25.0 111.469 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.35 -33.69 20.48 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 113.102 0.778 . . . . 50.0 113.102 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.8 m -106.43 -35.52 7.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.5 1.667 . . . . 50.0 115.5 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -80.95 -53.23 6.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.447 -0.946 . . . . 50.0 108.447 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.9 m -71.49 -46.44 59.81 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.7 p -114.2 -177.2 3.07 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 122.148 -0.345 . . . . 50.0 110.546 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.2 mm -91.44 133.71 32.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.206 -1.405 . . . . 50.0 107.206 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.08 155.63 44.08 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -122.14 164.97 16.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.248 -0.887 . . . . 50.0 109.357 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.44 -34.81 62.12 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.462 0.648 . . . . 50.0 112.303 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.372 0.669 . . . . 50.0 111.491 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -80.97 -38.86 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.697 -0.401 . . . . 50.0 110.399 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -52.01 -39.36 59.37 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.824 0.45 . . . . 50.0 111.921 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.9 -30.76 66.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.449 1.278 . . . . 50.0 114.449 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -68.28 -19.75 64.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.617 0.723 . . . . 50.0 111.275 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.91 6.0 43.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.021 0.439 . . . . 50.0 110.236 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -122.61 -46.2 2.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.079 0.77 . . . . 50.0 113.079 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.4 t30 . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 122.785 1.278 . . . . 25.0 112.534 -174.048 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.301 1.524 . . . . 25.0 114.379 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.4 t -107.49 131.97 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.679 -1.263 . . . . 25.0 109.167 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -74.89 124.07 26.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.71 -1.219 . . . . 50.0 107.71 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -162.05 178.22 9.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.526 -1.287 . . . . 50.0 107.526 -173.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -74.52 116.95 15.78 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.493 -1.299 . . . . 50.0 107.493 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 mt -119.97 136.33 54.58 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.157 -1.053 . . . . 50.0 108.157 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.45 164.61 36.37 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.987 -0.551 . . . . 50.0 110.541 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.14 -136.09 30.67 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 115.604 1.002 . . . . 25.0 115.604 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -62.65 -29.35 70.56 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.506 -0.409 . . . . 25.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.94 -37.16 83.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.64 -0.663 . . . . 50.0 110.774 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -45.29 85.51 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.494 -0.558 . . . . 50.0 109.494 174.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.79 -42.78 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.915 -0.402 . . . . 50.0 109.915 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -61.13 -42.23 98.16 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 112.249 0.463 . . . . 50.0 112.249 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.901 -0.499 . . . . 25.0 109.953 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -36.06 82.49 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.509 0.506 . . . . 50.0 110.316 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -67.95 -42.53 80.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.86 -41.57 82.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.618 0.723 . . . . 50.0 110.732 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 p -79.17 -35.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 50.0 112.457 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 -22.97 1.63 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 117.701 2.482 . . . . 50.0 117.701 -173.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.74 -39.48 96.68 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 109.935 -1.266 . . . . 25.0 109.935 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.91 5.92 3.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.111 0.782 . . . . 50.0 113.111 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.9 -43.78 2.86 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 122.164 -0.335 . . . . 50.0 111.157 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.97 -0.54 24.13 Favored Glycine 0 C--O 1.223 -0.592 0 N-CA-C 116.095 1.198 . . . . 25.0 116.095 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.73 -25.13 29.47 Favored Glycine 0 N--CA 1.463 0.48 0 CA-C-N 118.289 1.045 . . . . 25.0 114.115 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 t80 70.09 171.46 0.31 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 114.126 1.158 . . . . 50.0 114.126 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -119.38 -6.31 10.31 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.632 0.975 . . . . 50.0 113.632 -175.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -77.04 83.48 2.12 Favored 'Trans proline' 0 C--N 1.397 3.112 0 C-N-CA 122.445 2.097 . . . . 25.0 112.838 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . 0.4 ' C ' ' HG1' ' B' ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.4 ' HG1' ' C ' ' B' ' 29' ' ' HIX . 0.0 OUTLIER . . . . . 0 C--O 1.21 -1.0 0 CA-C-O 124.882 2.277 . . . . 25.0 110.524 179.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 CA-C-O 123.05 1.361 . . . . 25.0 115.339 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp -59.68 -27.05 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.559 -0.965 . . . . 25.0 111.515 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.35 -45.83 97.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.039 -0.413 . . . . 50.0 110.32 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -71.04 -28.83 64.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.383 -0.823 . . . . 25.0 111.075 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -76.04 -37.98 57.7 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.228 0.825 . . . . 50.0 113.228 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.2 m -118.78 -34.94 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 115.618 1.71 . . . . 50.0 115.618 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -80.61 -20.81 42.37 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 108.512 -0.922 . . . . 50.0 108.512 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -108.71 -50.19 3.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.934 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -112.97 -175.02 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.129 -0.357 . . . . 50.0 110.243 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mm -92.72 133.3 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 107.411 -1.329 . . . . 50.0 107.411 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -127.91 152.55 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.222 0.534 . . . . 25.0 109.921 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -118.76 162.17 18.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.121 -0.945 . . . . 50.0 109.01 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -52.6 -33.11 44.81 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.514 0.931 . . . . 50.0 113.514 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -57.83 -46.2 85.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.474 -0.784 . . . . 50.0 111.166 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -73.78 -39.79 63.91 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.72 -0.392 . . . . 50.0 110.06 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.94 -36.66 60.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.959 0.355 . . . . 50.0 111.959 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.46 -31.24 67.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.731 1.011 . . . . 50.0 113.731 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.12 -16.07 63.57 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.899 -0.5 . . . . 50.0 110.793 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -97.49 5.78 49.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 50.0 110.252 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.49 -51.18 2.99 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 . . . . . 0 C--O 1.209 -1.076 0 C-N-CA 125.823 1.649 . . . . 25.0 114.456 174.314 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 123.002 1.382 . . . . 25.0 114.575 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.7 t -114.76 132.07 65.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 121.248 -0.908 . . . . 25.0 109.205 176.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.09 125.32 28.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.646 -0.872 . . . . 50.0 108.646 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -166.55 176.54 7.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.748 -1.945 . . . . 50.0 105.748 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.13 131.28 41.15 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.787 -1.19 . . . . 50.0 107.787 173.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -135.47 141.73 45.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.101 -1.074 . . . . 50.0 108.101 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.92 168.57 25.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.818 -0.808 . . . . 50.0 108.818 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.6 -142.61 19.76 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.283 0.873 . . . . 25.0 115.283 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.69 -29.27 66.5 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.349 -0.425 . . . . 25.0 111.498 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -36.49 81.63 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 121.961 -0.462 . . . . 50.0 110.542 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -43.91 84.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.32 -0.622 . . . . 50.0 109.32 174.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.37 -41.91 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 109.876 -0.416 . . . . 50.0 109.876 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -60.58 -45.39 94.14 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 122.347 0.259 . . . . 50.0 111.232 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -46.63 89.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.441 -0.504 . . . . 25.0 111.088 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -36.14 82.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.088 0.471 . . . . 50.0 109.864 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -69.82 -41.77 74.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.667 -0.646 . . . . 25.0 111.411 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.36 -37.51 85.48 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.687 -0.633 . . . . 50.0 111.287 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.15 -37.84 17.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.106 -0.638 . . . . 50.0 112.29 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.0 t -124.86 -40.55 2.18 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 116.847 2.166 . . . . 50.0 116.847 -174.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.24 -32.51 72.09 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 120.015 -1.088 . . . . 25.0 113.552 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.53 -3.23 5.84 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.344 1.239 . . . . 50.0 114.344 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.3 3.96 53.95 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.087 0.403 . . . . 50.0 110.191 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.46 36.87 5.75 Favored Glycine 0 N--CA 1.459 0.231 0 C-N-CA 120.62 -0.8 . . . . 25.0 114.617 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.21 -123.64 2.39 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.374 -0.69 . . . . 25.0 111.374 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 76.89 164.71 0.24 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.056 1.342 . . . . 50.0 114.483 175.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -122.62 -3.86 8.76 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.661 -0.699 . . . . 50.0 112.245 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -79.07 76.84 4.34 Favored 'Trans proline' 0 C--N 1.398 3.151 0 C-N-CA 122.492 2.128 . . . . 25.0 113.223 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.494 1.743 0 C-N-CA 125.742 1.617 . . . . 25.0 112.695 -179.704 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 CA-C-O 123.381 1.545 . . . . 25.0 115.142 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp -54.89 -39.79 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 121.266 -1.138 . . . . 25.0 112.001 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.65 -30.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.393 -0.817 . . . . 50.0 111.336 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -78.77 -17.77 55.25 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.5 -0.75 . . . . 25.0 111.359 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -96.81 -34.15 11.4 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.271 0.471 . . . . 50.0 112.271 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -101.71 -33.55 9.82 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 115.329 1.603 . . . . 50.0 115.329 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -88.87 -49.69 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.45 -0.944 . . . . 50.0 108.45 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -68.16 -45.78 72.57 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -118.36 -174.07 2.59 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 50.0 109.281 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -96.09 137.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.358 -0.979 . . . . 50.0 108.358 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t -124.3 175.7 6.91 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.855 -0.794 . . . . 50.0 108.855 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -29.69 64.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.591 0.589 . . . . 50.0 112.591 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -63.99 -44.73 91.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.778 0.799 . . . . 50.0 110.394 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -71.0 -41.51 70.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.363 -0.977 . . . . 50.0 108.363 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.1 -40.89 70.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.607 0.242 . . . . 50.0 111.632 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -29.52 68.83 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.945 0.72 . . . . 50.0 112.945 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -71.49 -17.26 62.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.928 -0.482 . . . . 50.0 110.808 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -84.29 -9.33 58.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.63 -0.507 . . . . 50.0 109.63 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.1 m -89.16 -28.56 19.94 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.266 0.555 . . . . 50.0 110.43 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 124.519 2.104 . . . . 25.0 114.816 -178.5 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 123.836 1.779 . . . . 25.0 114.867 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.75 127.23 65.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 120.464 -1.397 . . . . 25.0 109.357 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -75.05 127.72 33.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.73 -1.582 . . . . 50.0 106.73 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -164.04 179.75 6.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.22 -1.77 . . . . 50.0 106.22 -172.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -76.9 108.26 9.82 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.117 -1.438 . . . . 50.0 107.117 173.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.04 131.44 53.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.834 -0.802 . . . . 50.0 108.834 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.1 161.95 36.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.718 -0.673 . . . . 50.0 109.925 -176.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -137.14 15.19 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -61.34 -28.84 69.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.319 -0.44 . . . . 25.0 111.828 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -66.44 -37.59 85.52 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.684 -0.635 . . . . 50.0 110.225 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -44.76 85.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.778 -0.452 . . . . 50.0 109.778 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.41 -40.86 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 120.709 -0.396 . . . . 50.0 110.06 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.65 -44.76 93.42 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.152 -0.343 . . . . 50.0 110.796 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.77 98.25 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.267 -0.573 . . . . 25.0 110.447 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.52 84.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.797 0.332 . . . . 50.0 110.428 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.16 -44.06 85.15 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.008 -0.433 . . . . 25.0 111.181 175.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.78 -41.48 87.59 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.668 -0.645 . . . . 50.0 110.456 -176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.37 -33.43 15.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 113.444 0.905 . . . . 50.0 113.444 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.4 -26.92 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 117.742 2.497 . . . . 50.0 117.742 -174.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.4 -32.15 60.24 Favored Glycine 0 C--O 1.215 -1.074 0 N-CA-C 110.243 -1.143 . . . . 25.0 110.243 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -80.89 -17.09 51.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.777 0.799 . . . . 50.0 109.753 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -83.7 -45.03 13.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.18 -0.918 . . . . 50.0 111.13 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 26.68 1.13 Allowed Glycine 0 CA--C 1.522 0.475 0 CA-C-N 114.868 -1.06 . . . . 25.0 114.208 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -146.08 81.92 0.2 Allowed Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.4 -1.08 . . . . 25.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -149.04 156.46 42.27 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.167 -0.679 . . . . 50.0 109.167 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -113.42 0.52 14.77 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 122.921 0.488 . . . . 50.0 112.128 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -79.83 76.66 4.42 Favored 'Trans proline' 0 C--N 1.397 3.085 0 C-N-CA 121.92 1.747 . . . . 25.0 112.622 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 124.98 2.324 . . . . 25.0 111.089 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.059 0 CA-C-O 122.448 1.026 . . . . 25.0 114.53 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 tt -56.11 -29.81 27.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 O-C-N 121.283 -1.127 . . . . 25.0 112.357 -178.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -61.1 -42.87 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 O-C-N 121.438 -0.788 . . . . 50.0 111.396 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -79.75 -17.38 53.63 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.221 -0.924 . . . . 25.0 111.924 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -38.97 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.638 0.607 . . . . 50.0 112.638 177.292 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -106.99 -37.6 6.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 114.866 1.432 . . . . 50.0 114.866 -176.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -75.87 -54.29 7.13 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.875 -1.13 . . . . 50.0 108.172 179.088 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -70.45 -43.19 70.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.323 0.86 . . . . 25.0 113.323 -178.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -117.43 -174.87 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.65 -0.656 . . . . 50.0 111.928 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -93.45 132.43 37.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.92 -1.511 . . . . 50.0 106.92 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -134.7 161.86 33.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 176.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 m -125.78 174.9 8.0 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 121.191 0.519 . . . . 50.0 110.558 -177.52 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -29.94 66.39 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.173 0.511 . . . . 50.0 111.823 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.358 0.599 . . . . 50.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.99 -41.28 71.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.533 -0.914 . . . . 50.0 108.533 177.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.67 -33.05 69.7 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.639 0.977 . . . . 50.0 113.639 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.94 -33.53 68.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 118.709 0.686 . . . . 50.0 112.529 175.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -70.19 -20.9 63.09 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.721 -0.612 . . . . 50.0 110.358 -178.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -87.64 -7.12 57.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.944 0.402 . . . . 50.0 111.001 178.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 t -92.09 -44.89 8.58 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.252 1.025 . . . . 50.0 108.524 177.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 123.864 1.792 . . . . 25.0 113.567 177.213 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p -133.98 140.41 46.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 174.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.52 119.59 22.03 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 107.768 -1.197 . . . . 50.0 107.768 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -162.38 177.5 9.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.74 -1.948 . . . . 50.0 105.74 -175.275 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -70.27 129.07 38.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.876 -1.157 . . . . 50.0 107.876 175.051 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt -133.35 133.15 42.12 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 107.763 -1.199 . . . . 50.0 107.763 -175.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.12 164.17 35.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.557 -0.905 . . . . 50.0 108.557 -176.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.54 -136.88 31.41 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 115.441 0.937 . . . . 25.0 115.441 175.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.8 p -60.9 -30.29 70.09 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.339 -0.506 . . . . 25.0 112.168 178.048 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -38.22 86.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.728 -0.608 . . . . 50.0 110.044 177.31 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -45.66 87.01 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.552 -0.294 . . . . 50.0 110.49 174.452 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.51 -44.21 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.949 -0.389 . . . . 50.0 109.949 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.13 -45.53 90.68 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 121.331 -0.855 . . . . 50.0 112.001 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.21 95.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.399 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -37.02 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.035 0.445 . . . . 50.0 110.582 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.52 -39.27 85.09 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 122.059 -0.401 . . . . 25.0 110.753 177.375 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.01 -41.45 82.18 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.163 -0.961 . . . . 50.0 110.157 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.95 -36.7 25.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.278 0.844 . . . . 50.0 113.278 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.94 -34.96 2.73 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.58 2.067 . . . . 50.0 116.58 -174.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.8 -34.0 88.51 Favored Glycine 0 C--O 1.219 -0.808 0 C-N-CA 119.653 -1.261 . . . . 25.0 111.791 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.07 -13.47 60.85 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.897 0.702 . . . . 50.0 112.897 175.773 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -87.15 -39.57 15.4 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 109.023 -0.732 . . . . 50.0 109.023 177.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.36 135.15 4.07 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 109.135 -1.586 . . . . 25.0 109.135 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.89 81.22 1.58 Allowed Glycine 0 C--O 1.221 -0.68 0 N-CA-C 110.905 -0.878 . . . . 25.0 110.905 -178.199 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -138.03 150.24 46.76 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.819 -0.812 . . . . 50.0 109.476 -179.162 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -97.09 -8.5 30.09 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.918 0.71 . . . . 50.0 112.918 -171.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -81.82 84.02 1.98 Allowed 'Trans proline' 0 C--N 1.4 3.288 0 C-N-CA 122.075 1.85 . . . . 25.0 112.315 176.556 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.211 -0.954 0 CA-C-O 124.996 2.332 . . . . 25.0 113.166 -179.8 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 122.818 1.232 . . . . 25.0 114.213 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.3 tp -53.82 -31.74 20.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 C-N-CA 123.97 0.908 . . . . 25.0 112.625 -178.844 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.98 -46.48 91.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 121.01 -0.276 . . . . 50.0 110.92 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.54 -25.24 53.9 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 120.799 -1.188 . . . . 25.0 110.928 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.67 -42.45 74.16 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.345 -0.222 . . . . 50.0 111.426 178.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -110.4 -39.43 4.94 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.983 1.846 . . . . 50.0 115.983 -174.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.59 -26.59 45.51 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.75 -0.833 . . . . 50.0 108.75 -176.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -100.23 -53.5 3.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.352 0.408 . . . . 25.0 111.104 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -106.93 -172.97 2.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.985 0.421 . . . . 50.0 111.16 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -89.92 138.58 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.244 -1.391 . . . . 50.0 107.244 177.452 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -132.61 150.75 52.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.368 0.604 . . . . 25.0 110.358 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.4 p -115.32 166.13 12.2 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.035 -0.53 . . . . 50.0 110.64 -175.129 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.4 -36.82 66.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.56 0.695 . . . . 50.0 111.54 178.136 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.42 -40.79 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.97 0.891 . . . . 50.0 110.791 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -79.76 -40.33 28.98 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.561 -0.712 . . . . 50.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -56.8 -34.73 67.95 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.728 0.411 . . . . 50.0 111.506 -178.285 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.44 -28.36 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.136 0.791 . . . . 50.0 113.136 177.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -71.41 -13.15 61.75 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.18 0.514 . . . . 50.0 111.005 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -99.51 6.44 45.88 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.477 0.656 . . . . 50.0 110.257 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -111.78 -46.67 3.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.29 -1.323 . . . . 50.0 107.675 177.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.3 t30 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 125.367 2.508 . . . . 25.0 111.503 179.346 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 124.343 2.021 . . . . 25.0 114.179 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t -124.58 137.15 58.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 114.083 -1.417 . . . . 25.0 107.583 177.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -76.11 130.56 38.49 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.622 -0.881 . . . . 50.0 108.622 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -170.4 -178.37 2.7 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.05 -1.463 . . . . 50.0 107.05 -172.413 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -80.81 134.01 35.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.86 -1.533 . . . . 50.0 106.86 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mt -141.41 140.75 33.71 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 109.435 -0.58 . . . . 50.0 109.435 -177.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t -154.16 167.85 28.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 119.306 -0.378 . . . . 50.0 110.153 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.07 -142.82 30.83 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-O 122.265 0.925 . . . . 25.0 113.377 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -62.21 -24.99 67.54 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.361 -0.494 . . . . 25.0 111.397 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -69.87 -33.93 72.9 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 120.835 -1.166 . . . . 50.0 110.085 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -43.37 82.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.3 -0.63 . . . . 50.0 109.3 173.257 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.77 -41.31 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.188 -0.671 . . . . 50.0 109.188 178.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.82 -41.93 99.51 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 121.956 0.102 . . . . 50.0 111.002 178.744 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.23 89.88 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.77 -0.581 . . . . 25.0 110.803 178.653 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -36.94 81.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.093 0.473 . . . . 50.0 109.938 177.335 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.93 -42.31 81.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.757 -0.589 . . . . 25.0 111.574 176.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 -39.7 89.98 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.303 -0.873 . . . . 50.0 110.714 -177.495 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.36 -33.43 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 113.432 0.901 . . . . 50.0 113.432 -179.49 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.53 -22.42 1.93 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 117.518 2.414 . . . . 50.0 117.518 -172.45 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.12 -37.15 93.79 Favored Glycine 0 C--O 1.223 -0.567 0 C-N-CA 119.771 -1.204 . . . . 25.0 111.582 176.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.27 0.12 38.33 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 122.212 -0.581 . . . . 50.0 111.884 175.1 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -115.03 -20.64 10.41 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.264 1.209 . . . . 50.0 114.264 -174.16 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.26 134.83 4.97 Favored Glycine 0 C--O 1.225 -0.417 0 N-CA-C 111.056 -0.818 . . . . 25.0 111.056 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.55 26.38 6.88 Favored Glycine 0 C--O 1.215 -1.049 0 N-CA-C 114.991 0.757 . . . . 25.0 114.991 176.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -92.48 139.25 30.77 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 117.972 0.886 . . . . 50.0 112.175 179.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -105.51 -14.86 15.16 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 113.29 0.848 . . . . 50.0 113.29 -178.305 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -80.14 84.58 1.99 Allowed 'Trans proline' 0 C--N 1.393 2.87 0 C-N-CA 122.075 1.85 . . . . 25.0 112.698 176.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.499 1.991 0 CA-C-O 123.87 1.795 . . . . 25.0 112.209 -174.014 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 CA-C-O 123.504 1.613 . . . . 25.0 114.548 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 tp -57.41 -38.27 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.344 -1.68 . . . . 25.0 112.304 -172.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -69.83 -40.12 78.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.557 -0.534 . . . . 50.0 109.557 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.19 -3.21 41.46 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.57 0.581 . . . . 25.0 112.57 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -98.97 -54.32 3.02 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 108.88 -0.785 . . . . 50.0 108.88 171.075 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -84.11 -38.47 20.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 116.753 2.131 . . . . 50.0 116.753 -174.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.0 -13.24 53.77 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.41 -0.806 . . . . 50.0 109.212 -177.108 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 m -103.95 -45.03 4.87 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.361 0.601 . . . . 25.0 111.827 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -124.91 -172.82 2.66 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.334 -0.394 . . . . 50.0 110.377 -177.219 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.28 136.56 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.502 -1.666 . . . . 50.0 106.502 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -132.1 146.73 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.067 0.46 . . . . 25.0 110.434 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.8 m -113.13 160.82 17.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.044 -0.98 . . . . 50.0 109.13 -178.067 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -56.59 -31.45 64.27 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.957 0.725 . . . . 50.0 112.957 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.73 -45.48 94.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.857 0.837 . . . . 50.0 110.372 179.111 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.21 -39.4 68.59 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.344 -0.984 . . . . 50.0 108.344 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.47 -37.57 65.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 112.5 0.556 . . . . 50.0 112.5 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.17 -28.71 59.14 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 114.082 1.141 . . . . 50.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -70.21 -20.45 63.1 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 120.117 -0.633 . . . . 50.0 110.546 -178.273 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -85.33 -6.12 59.26 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.337 0.589 . . . . 50.0 110.81 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 m -84.38 -7.88 59.16 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.476 -0.935 . . . . 50.0 108.476 178.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 m120 . . . . . 0 C--O 1.217 -0.624 0 CA-C-O 125.31 2.481 . . . . 25.0 109.574 172.462 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 123.097 1.427 . . . . 25.0 113.783 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p -126.74 143.68 39.4 Favored 'Isoleucine or valine' 0 C--O 1.249 1.027 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 173.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -74.59 117.94 16.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.753 -0.832 . . . . 50.0 108.753 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -157.83 -179.78 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.934 -1.136 . . . . 50.0 107.934 -172.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -75.52 105.18 6.42 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.093 -1.077 . . . . 50.0 108.093 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.4 mt -103.26 137.52 41.29 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.704 -0.85 . . . . 50.0 108.704 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.61 165.53 34.03 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.862 0.363 . . . . 50.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.31 -140.3 28.53 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 115.709 1.043 . . . . 25.0 115.709 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -29.66 70.2 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.813 0.34 . . . . 25.0 111.462 179.568 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -65.91 -38.49 88.84 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.833 -0.542 . . . . 50.0 109.695 176.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -43.67 96.52 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 122.037 -0.414 . . . . 50.0 110.024 174.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.6 t -62.5 -41.78 93.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 119.675 -0.81 . . . . 50.0 110.632 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.06 -42.55 99.31 Favored 'General case' 0 C--O 1.208 -1.132 0 O-C-N 121.565 -0.709 . . . . 50.0 111.495 176.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.16 90.75 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.399 -179.124 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.87 -38.98 90.29 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.846 0.355 . . . . 50.0 111.631 177.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.25 -42.64 99.21 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.02 -0.425 . . . . 25.0 111.272 176.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -68.76 -39.74 80.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.841 -0.744 . . . . 50.0 110.852 -176.04 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -81.68 -33.61 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 113.213 0.82 . . . . 50.0 113.213 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -125.61 -30.25 3.09 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.221 1.934 . . . . 50.0 116.221 -174.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.76 -28.21 73.66 Favored Glycine 0 C--O 1.223 -0.544 0 O-C-N 120.885 -1.134 . . . . 25.0 111.423 178.546 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -96.37 10.51 37.86 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.198 0.523 . . . . 50.0 110.528 177.218 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -113.24 -48.83 2.94 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.22 0.533 . . . . 50.0 110.875 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.01 68.42 0.07 OUTLIER Glycine 0 C--O 1.21 -1.357 0 CA-C-N 114.925 -1.034 . . . . 25.0 111.433 -175.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.19 86.94 0.06 OUTLIER Glycine 0 C--O 1.219 -0.842 0 N-CA-C 110.299 -1.12 . . . . 25.0 110.299 -179.323 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -152.0 152.54 32.58 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.15 -0.685 . . . . 50.0 109.15 -176.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -117.37 -3.83 11.39 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.522 0.514 . . . . 50.0 111.6 -177.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.88 75.74 4.65 Favored 'Trans proline' 0 C--N 1.402 3.364 0 C-N-CA 121.343 1.362 . . . . 25.0 113.526 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 42.4 p . . . . . 0 N--CA 1.495 1.808 0 C-N-CA 125.426 1.491 . . . . 25.0 111.107 178.646 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 123.074 1.375 . . . . 25.0 115.086 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp -57.5 -33.57 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.156 -1.203 . . . . 25.0 112.092 -177.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.27 -43.3 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 121.71 -0.619 . . . . 50.0 110.302 178.177 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -72.33 -20.66 61.45 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 121.773 -0.579 . . . . 25.0 111.905 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -91.42 -36.26 13.89 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.112 0.782 . . . . 50.0 113.112 179.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.14 -36.6 6.52 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 115.374 1.62 . . . . 50.0 115.374 -176.073 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.5 m -80.31 -48.82 12.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.755 -1.202 . . . . 50.0 107.755 179.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m -72.68 -47.81 44.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.863 0.69 . . . . 25.0 112.863 -177.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -112.72 -178.92 3.51 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 121.806 -0.559 . . . . 50.0 110.941 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -86.99 131.1 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.111 -1.44 . . . . 50.0 107.111 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -130.18 160.64 33.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 25.0 109.808 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.2 p -129.38 170.65 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.802 -0.635 . . . . 50.0 109.951 -173.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -58.24 -33.04 68.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.103 0.477 . . . . 50.0 111.457 177.495 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 -42.83 99.29 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.079 -0.51 . . . . 50.0 110.737 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -69.1 -46.25 68.18 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 176.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mp -56.42 -34.46 66.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.195 1.183 . . . . 50.0 114.195 -175.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.49 -33.64 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 50.0 111.719 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -71.21 -19.26 62.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.713 -0.617 . . . . 50.0 111.596 -178.427 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -88.29 -6.62 57.66 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.557 -0.534 . . . . 50.0 109.557 178.318 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.3 t -91.26 -46.38 8.09 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.929 -1.138 . . . . 50.0 107.929 177.478 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 . . . . . 0 C--O 1.21 -1.018 0 CA-C-O 122.909 1.337 . . . . 25.0 112.853 175.266 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 123.054 1.407 . . . . 25.0 114.499 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -115.2 142.38 28.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 N-CA-C 107.551 -1.278 . . . . 25.0 107.551 173.385 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -72.63 139.86 47.63 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.196 -1.039 . . . . 50.0 108.196 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.66 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.717 -1.216 . . . . 50.0 107.717 -172.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.93 97.22 6.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 50.0 108.257 171.212 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.48 134.97 34.19 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -149.31 161.97 40.99 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.804 -0.358 . . . . 50.0 111.067 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.96 -137.98 27.02 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -59.75 -32.26 70.41 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.465 -0.368 . . . . 25.0 111.247 179.381 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -63.47 -38.87 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.035 -0.415 . . . . 50.0 110.539 176.574 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -46.04 87.26 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.761 -0.459 . . . . 50.0 109.761 175.103 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.42 -41.72 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 120.27 -0.572 . . . . 50.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -61.44 -41.83 97.8 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.268 0.227 . . . . 50.0 110.591 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.83 97.34 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.016 -0.428 . . . . 25.0 110.55 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.13 -35.15 80.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.727 0.299 . . . . 50.0 110.856 177.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.44 -43.44 85.61 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.908 -0.495 . . . . 25.0 110.359 176.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -67.19 -40.53 86.53 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.432 -0.507 . . . . 50.0 110.697 -176.27 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -79.57 -35.03 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.976 -0.69 . . . . 50.0 112.71 -179.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.5 -32.46 1.52 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.831 2.53 . . . . 50.0 117.831 -176.234 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . 0.437 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -58.65 -44.2 95.8 Favored Glycine 0 CA--C 1.508 -0.371 0 C-N-CA 120.643 -0.789 . . . . 25.0 112.29 -177.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -78.72 13.1 1.78 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.906 0.706 . . . . 50.0 112.906 178.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.86 1.6 37.2 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.946 0.403 . . . . 50.0 110.409 172.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.92 29.72 30.91 Favored Glycine 0 C--O 1.226 -0.375 0 CA-C-N 115.73 -0.668 . . . . 25.0 114.683 177.595 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.44 -126.27 3.35 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 108.317 -1.913 . . . . 25.0 108.317 176.701 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . 0.437 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 1.3 t80 71.77 173.18 0.31 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.168 1.914 . . . . 50.0 116.168 170.647 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -123.2 -2.25 8.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.628 -0.715 . . . . 50.0 111.22 -175.67 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.46 79.75 3.28 Favored 'Trans proline' 0 C--N 1.399 3.212 0 C-N-CA 121.718 1.612 . . . . 25.0 112.806 175.841 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 124.493 2.092 . . . . 25.0 112.026 -179.187 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.567 0 CA-C-O 123.972 1.873 . . . . 25.0 114.811 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 tp -52.79 -34.54 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 120.864 -1.374 . . . . 25.0 113.165 -175.729 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.65 -46.67 85.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.107 -0.996 . . . . 50.0 109.146 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.35 -14.12 60.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.146 -0.479 . . . . 25.0 112.269 -175.626 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -99.09 -37.17 9.44 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 120.925 0.393 . . . . 50.0 111.465 176.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -109.36 -30.06 8.16 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 115.694 1.738 . . . . 50.0 115.694 -170.61 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.6 m -82.0 -49.58 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.502 -2.036 . . . . 50.0 105.502 174.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -70.93 -43.7 67.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -177.652 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.13 -178.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.833 -0.542 . . . . 50.0 111.083 -177.271 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -86.41 127.85 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 107.033 -1.469 . . . . 50.0 107.033 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -119.51 131.37 55.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.075 0.464 . . . . 25.0 110.656 -179.147 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -99.4 167.1 10.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.162 -1.051 . . . . 50.0 108.162 177.749 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pp -58.44 -32.48 68.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.778 0.323 . . . . 50.0 111.466 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.69 -39.19 90.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.565 0.698 . . . . 50.0 110.823 178.619 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -72.34 -42.66 65.11 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.73 -0.841 . . . . 50.0 108.73 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -31.33 69.85 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 111.827 0.306 . . . . 50.0 111.827 -177.448 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.5 -27.46 67.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.516 0.562 . . . . 50.0 112.516 176.365 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.91 -17.06 64.72 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.732 -0.605 . . . . 50.0 110.604 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -102.08 12.84 36.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 50.0 110.61 -177.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.0 m -59.27 -37.77 78.45 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.291 0.567 . . . . 50.0 110.045 173.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 N--CA 1.486 1.341 0 C-N-CA 125.659 1.584 . . . . 25.0 114.833 176.343 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.48 129.28 63.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 120.501 -1.375 . . . . 25.0 109.417 176.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -78.24 120.51 23.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.799 -1.091 . . . . 50.0 108.155 175.594 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -163.18 -179.77 6.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.554 -2.017 . . . . 50.0 105.554 -174.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -73.69 124.47 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.878 -1.527 . . . . 50.0 106.878 172.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.2 mt -128.88 137.76 51.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.706 -1.591 . . . . 50.0 106.706 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.82 167.17 27.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.827 -0.624 . . . . 50.0 109.44 -178.239 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -136.69 30.99 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 178.258 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -61.28 -32.55 72.38 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.638 -0.281 . . . . 25.0 111.178 -179.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -37.2 86.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.336 -0.545 . . . . 50.0 109.696 178.297 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -49.46 66.46 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.497 -0.481 . . . . 50.0 111.265 176.807 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.59 -30.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 119.252 -0.979 . . . . 50.0 109.766 -176.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.0 -46.23 88.64 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.693 -0.629 . . . . 50.0 110.677 172.023 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.12 97.74 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.362 -0.836 . . . . 25.0 109.406 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -34.97 79.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.678 -0.49 . . . . 50.0 109.678 179.52 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -68.46 -41.57 80.02 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 120.98 -0.288 . . . . 25.0 110.636 176.322 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.72 -39.84 91.6 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.577 -0.702 . . . . 50.0 110.934 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -84.33 -34.44 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.051 0.76 . . . . 50.0 113.051 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -126.15 -32.34 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.845 1.794 . . . . 50.0 115.845 -172.169 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.23 78.58 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.354 -1.098 . . . . 25.0 110.354 178.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.65 25.9 1.39 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.201 0.6 . . . . 50.0 110.39 176.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -147.63 -46.59 0.17 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 115.498 1.666 . . . . 50.0 115.498 -173.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.49 -135.38 5.22 Favored Glycine 0 C--O 1.212 -1.244 0 N-CA-C 111.934 -0.466 . . . . 25.0 111.934 -178.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.65 -27.15 8.14 Favored Glycine 0 N--CA 1.461 0.328 0 N-CA-C 114.605 0.602 . . . . 25.0 114.605 -175.222 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.2 t80 60.57 -176.82 0.11 Allowed 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 123.505 0.722 . . . . 50.0 111.144 -178.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -139.43 -0.62 1.77 Allowed 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 112.851 0.686 . . . . 50.0 112.851 -178.271 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -80.17 75.57 4.98 Favored 'Trans proline' 0 C--N 1.389 2.683 0 C-N-CA 122.452 2.101 . . . . 25.0 113.181 -178.558 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 123.702 1.715 . . . . 25.0 111.499 -175.424 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.527 0 CA-C-O 123.521 1.623 . . . . 25.0 114.455 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.0 tp -59.97 -35.53 61.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 121.71 -0.876 . . . . 25.0 109.953 177.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.88 -34.72 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 O-C-N 121.713 -0.617 . . . . 50.0 110.31 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.43 -20.98 53.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.301 0.572 . . . . 25.0 110.119 -178.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -88.32 -39.02 14.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.579 0.585 . . . . 50.0 112.579 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.2 m -105.63 -32.71 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.456 2.021 . . . . 50.0 116.456 -174.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.1 -52.84 7.3 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.227 -1.768 . . . . 50.0 106.227 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -67.04 -45.29 77.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.896 -1.047 . . . . 25.0 113.113 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -120.51 -176.03 3.14 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 112.337 0.495 . . . . 50.0 112.337 -174.069 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.6 mm -91.57 134.83 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 106.373 -1.714 . . . . 50.0 106.373 177.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.28 146.86 51.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 176.75 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -110.84 168.61 9.35 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.116 -0.947 . . . . 50.0 109.089 -177.165 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.31 -32.15 62.22 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.009 -0.542 . . . . 50.0 112.411 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.42 -43.32 99.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.954 0.353 . . . . 50.0 111.954 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -70.64 -43.8 68.46 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.319 -0.993 . . . . 50.0 108.319 177.692 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -52.33 -40.28 61.73 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.384 0.513 . . . . 50.0 112.384 -178.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.95 -32.41 67.79 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 50.0 112.648 179.317 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -69.02 -20.77 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.406 0.548 . . . . 50.0 111.403 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -84.64 -5.2 59.3 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.297 0.57 . . . . 50.0 110.691 179.229 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.0 t -84.46 -35.81 22.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.033 -1.099 . . . . 50.0 108.033 178.239 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.546 0.821 0 CA-C-O 125.224 2.44 . . . . 25.0 112.152 174.562 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.7 t80 . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 123.104 1.43 . . . . 25.0 114.732 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.13 131.33 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 120.851 -1.156 . . . . 25.0 109.516 176.622 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -74.74 122.09 22.74 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.926 0.766 . . . . 50.0 109.333 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -163.6 173.46 12.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.793 -1.188 . . . . 50.0 107.793 -173.263 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -71.66 131.52 43.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.402 -1.333 . . . . 50.0 107.402 174.635 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -136.72 137.6 40.12 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.264 -1.013 . . . . 50.0 108.264 -176.781 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 163.08 38.17 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.858 -1.164 . . . . 50.0 107.858 -177.902 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.35 -136.51 11.84 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 116.865 1.506 . . . . 25.0 116.865 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -27.67 68.75 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 122.199 -0.589 . . . . 25.0 112.379 179.339 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -67.53 -37.74 83.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.596 -0.69 . . . . 50.0 109.433 176.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -44.06 90.35 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.358 -0.608 . . . . 50.0 109.358 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -36.64 78.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 120.86 -0.336 . . . . 50.0 111.037 -179.142 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.04 -43.9 97.85 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.269 -0.271 . . . . 50.0 110.269 175.083 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.73 94.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.828 178.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.05 -35.46 80.31 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.302 0.572 . . . . 50.0 109.913 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -68.66 -41.34 79.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.953 177.181 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.43 75.46 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.751 -0.593 . . . . 50.0 111.118 -177.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.9 p -79.69 -32.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 113.445 0.906 . . . . 50.0 113.445 -178.348 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.89 -26.4 1.19 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.061 2.245 . . . . 50.0 117.061 -177.403 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.64 -39.31 96.38 Favored Glycine 0 C--O 1.213 -1.172 0 C-N-CA 119.952 -1.118 . . . . 25.0 111.538 179.062 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -82.12 12.68 4.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.296 0.85 . . . . 50.0 113.296 177.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -138.39 -37.61 0.55 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.671 1.73 . . . . 50.0 115.671 -175.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.53 -16.18 9.67 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 116.323 1.289 . . . . 25.0 116.323 -173.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.7 -31.38 4.81 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 118.042 0.921 . . . . 25.0 115.012 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 62.73 179.46 0.14 Allowed 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 114.314 1.228 . . . . 50.0 114.314 177.748 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -127.58 -5.02 5.89 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.938 0.495 . . . . 50.0 111.383 -177.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.28 83.26 2.08 Favored 'Trans proline' 0 C--N 1.395 2.992 0 C-N-CA 122.743 2.295 . . . . 25.0 111.684 175.129 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . 0.54 ' C ' ' HG1' ' B' ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.54 ' HG1' ' C ' ' B' ' 29' ' ' HIX . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 124.568 2.128 . . . . 25.0 110.878 177.874 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 CA-C-O 122.754 1.197 . . . . 25.0 114.698 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 tp -60.88 -31.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 O-C-N 121.361 -1.082 . . . . 25.0 111.905 -175.725 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.94 -45.66 83.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 O-C-N 121.495 -0.753 . . . . 50.0 109.97 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -68.29 -32.07 71.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.693 0.758 . . . . 25.0 111.82 -179.073 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -75.38 -44.09 46.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.768 -0.651 . . . . 50.0 110.944 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -108.16 -41.58 4.87 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 116.668 2.099 . . . . 50.0 116.668 -172.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.94 -45.49 57.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.478 -1.305 . . . . 50.0 107.478 -178.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -80.57 -46.47 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.435 -0.802 . . . . 25.0 112.218 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -114.7 178.79 4.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.235 0.457 . . . . 50.0 112.235 -174.942 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.3 mm -84.42 130.55 35.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 105.862 -1.903 . . . . 50.0 105.862 178.27 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -127.88 150.81 49.7 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.444 0.64 . . . . 25.0 109.601 175.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -112.64 168.66 9.48 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.255 -0.884 . . . . 50.0 110.721 -174.816 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -29.29 70.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.763 0.316 . . . . 50.0 110.957 -179.16 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.97 -44.08 93.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.74 0.781 . . . . 50.0 111.327 178.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -68.81 -43.44 75.59 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.788 -0.57 . . . . 50.0 110.195 176.02 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -55.58 -36.78 67.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.081 0.4 . . . . 50.0 112.081 -179.534 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.2 -30.54 70.48 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.63 -0.669 . . . . 50.0 112.304 177.585 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -73.25 -13.65 61.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.869 -0.519 . . . . 50.0 110.519 -177.217 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.3 -4.52 53.85 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.71 -0.396 . . . . 50.0 110.044 177.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.6 t -103.87 -41.15 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.73 0.776 . . . . 50.0 109.957 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 N--CA 1.445 -0.715 0 CA-C-O 125.154 2.407 . . . . 25.0 111.415 176.802 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 123.102 1.429 . . . . 25.0 114.624 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.4 145.63 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 171.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -73.45 132.93 43.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.988 -1.116 . . . . 50.0 107.988 -177.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -166.11 -178.53 4.68 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.332 -0.988 . . . . 50.0 108.332 -173.832 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.99 136.64 36.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.603 -1.258 . . . . 50.0 107.603 170.955 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 mt -138.39 141.89 39.61 Favored 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 107.66 -1.237 . . . . 50.0 107.66 -178.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.33 165.11 36.8 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.947 -0.39 . . . . 50.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.76 -132.41 22.58 Favored Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.72 1.048 . . . . 25.0 115.72 177.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -62.81 -30.61 71.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.041 -0.579 . . . . 25.0 111.692 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -70.6 -33.59 71.21 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.161 -0.962 . . . . 50.0 109.594 177.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -46.33 79.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 121.014 -0.274 . . . . 50.0 110.296 175.853 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.73 -28.52 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 118.603 -1.239 . . . . 50.0 110.666 -178.625 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -65.59 -40.72 93.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.476 -0.329 . . . . 50.0 110.731 172.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.0 93.0 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.589 -0.694 . . . . 25.0 110.272 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.23 -38.36 79.8 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.581 -0.736 . . . . 50.0 110.33 177.402 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -67.02 -44.79 79.4 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.935 -0.478 . . . . 25.0 111.27 177.675 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.16 -38.17 85.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.921 -0.487 . . . . 50.0 111.104 -176.027 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.5 p -82.51 -33.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 114.102 1.149 . . . . 50.0 114.102 -179.867 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -125.33 -40.09 2.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.714 2.116 . . . . 50.0 116.714 -177.685 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.31 -37.49 93.15 Favored Glycine 0 C--O 1.215 -1.068 0 C-N-CA 120.702 -0.761 . . . . 25.0 114.365 -176.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -69.1 -12.06 61.34 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.814 -0.815 . . . . 50.0 112.485 178.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -86.0 -18.72 31.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.727 0.64 . . . . 50.0 112.727 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.31 14.19 7.8 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 116.34 1.296 . . . . 25.0 116.34 175.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.99 -118.33 4.31 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 110.348 -1.101 . . . . 25.0 110.348 176.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 74.48 166.78 0.29 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 117.311 2.337 . . . . 50.0 117.311 172.228 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -135.0 -6.1 2.38 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.452 -0.795 . . . . 50.0 112.541 -174.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . 0.42 ' C ' ' HD2' ' B' ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.21 83.03 2.29 Favored 'Trans proline' 0 C--N 1.409 3.754 0 C-N-CA 122.09 1.86 . . . . 25.0 113.553 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . 0.42 ' HD2' ' C ' ' B' ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 124.433 2.063 . . . . 25.0 111.345 -179.664 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.635 0 N-CA-C 116.936 1.534 . . . . 25.0 116.936 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp -52.97 -38.66 29.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 O-C-N 121.525 -0.985 . . . . 25.0 112.683 -177.504 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.1 -42.71 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 O-C-N 120.899 -1.125 . . . . 50.0 111.123 -177.546 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -70.0 -27.57 64.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.369 0.605 . . . . 25.0 110.141 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -84.3 -35.02 23.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.29 0.848 . . . . 50.0 113.29 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -109.09 -36.9 5.94 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 116.531 2.048 . . . . 50.0 116.531 -177.53 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 t -81.88 -24.23 35.86 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.792 -1.192 . . . . 50.0 108.93 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -104.72 -48.25 3.83 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.743 -0.662 . . . . 25.0 112.275 177.761 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -108.17 -177.6 3.37 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.775 0.798 . . . . 50.0 111.615 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.88 137.1 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 105.519 -2.03 . . . . 50.0 105.519 174.287 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -135.11 153.44 52.01 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 174.381 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -119.58 171.52 8.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.566 -0.902 . . . . 50.0 108.566 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -34.69 63.68 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 123.619 0.575 . . . . 50.0 110.413 -178.552 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -59.67 -50.13 75.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.05 -0.523 . . . . 50.0 111.813 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -65.71 -43.31 89.49 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 109.334 -0.617 . . . . 50.0 109.334 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.92 -38.3 70.09 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.193 1.183 . . . . 50.0 114.193 -178.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.57 -24.56 65.53 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.8 1.037 . . . . 50.0 113.8 176.902 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.11 -17.83 64.96 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.071 0.85 . . . . 50.0 110.382 175.676 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -105.15 17.95 23.18 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.835 0.854 . . . . 50.0 110.737 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.13 -32.78 73.41 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 123.059 1.409 . . . . 50.0 108.343 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 N--CA 1.488 1.432 0 C-N-CA 126.743 2.017 . . . . 25.0 115.492 174.314 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 122.84 1.305 . . . . 25.0 114.499 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -130.4 143.74 40.07 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 O-C-N 121.149 -0.969 . . . . 25.0 108.845 178.382 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -81.0 128.38 33.63 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.705 -0.68 . . . . 50.0 110.6 -176.569 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -164.8 176.57 8.64 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 106.422 -1.695 . . . . 50.0 106.422 -174.499 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.35 136.66 38.47 Favored 'General case' 0 C--O 1.192 -1.928 0 N-CA-C 106.523 -1.658 . . . . 50.0 106.523 173.276 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -137.8 139.91 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.666 -1.235 . . . . 50.0 107.666 -177.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -150.96 168.05 25.73 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.11 -1.07 . . . . 50.0 108.11 179.614 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.3 -139.29 30.44 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -63.1 -27.58 69.49 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 122.13 -0.63 . . . . 25.0 112.415 178.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -69.83 -33.09 71.84 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.292 0.496 . . . . 50.0 109.863 176.833 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -44.64 80.12 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 107.674 -1.232 . . . . 50.0 107.674 174.583 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.1 -42.6 90.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 120.304 -0.558 . . . . 50.0 110.207 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.37 -46.06 83.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.695 0.257 . . . . 50.0 111.695 176.224 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.07 96.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.181 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.37 -37.49 85.92 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.303 0.377 . . . . 50.0 111.989 177.023 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -64.06 -45.63 87.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.875 -0.148 . . . . 25.0 110.884 174.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.04 -38.02 87.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.754 -0.591 . . . . 50.0 111.304 -175.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.65 -35.86 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 114.24 1.2 . . . . 50.0 114.24 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.19 -29.41 2.75 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.573 1.694 . . . . 50.0 115.573 -175.267 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 -27.73 72.89 Favored Glycine 0 C--N 1.315 -0.597 0 C-N-CA 120.702 -0.761 . . . . 25.0 111.281 175.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -93.9 21.81 6.27 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.902 0.334 . . . . 50.0 111.902 175.387 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -123.81 -63.37 1.23 Allowed 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.8 -0.815 . . . . 50.0 108.8 175.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.61 84.73 0.05 OUTLIER Glycine 0 CA--C 1.506 -0.481 0 CA-C-N 115.48 -0.782 . . . . 25.0 111.344 -178.275 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.07 113.6 0.9 Allowed Glycine 0 CA--C 1.518 0.229 0 N-CA-C 111.203 -0.759 . . . . 25.0 111.203 -177.104 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -158.66 163.31 37.0 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 107.136 -1.431 . . . . 50.0 107.136 178.338 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -123.74 -0.71 8.52 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.165 0.916 . . . . 50.0 112.946 -173.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -77.43 83.81 2.08 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 120.39 0.727 . . . . 25.0 113.09 179.748 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . 0.543 ' C ' ' HG1' ' B' ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.543 ' HG1' ' C ' ' B' ' 29' ' ' HIX . 38.6 m . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 124.306 2.003 . . . . 25.0 109.751 -177.523 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.569 0 CA-C-O 123.34 1.522 . . . . 25.0 115.255 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.94 -32.68 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 120.044 -1.856 . . . . 25.0 112.567 -173.293 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.52 -44.31 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 121.015 -1.053 . . . . 50.0 109.194 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -64.03 -32.03 73.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.693 -0.685 . . . . 25.0 110.647 -178.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -85.01 -40.57 16.72 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.519 0.933 . . . . 50.0 113.519 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.3 m -102.44 -39.15 7.26 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.646 1.721 . . . . 50.0 115.646 -175.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.7 m -78.25 -53.61 7.14 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.456 -1.313 . . . . 50.0 107.456 -178.762 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -71.5 -44.24 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.539 -179.084 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -116.49 -175.33 2.73 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.131 -0.355 . . . . 50.0 111.414 -176.443 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -89.08 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.028 -1.471 . . . . 50.0 107.028 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -133.33 152.75 51.94 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.245 0.831 . . . . 25.0 113.245 174.154 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -118.28 168.17 10.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 50.0 110.011 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -60.8 -32.44 71.8 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.003 -0.436 . . . . 50.0 111.939 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -61.43 -43.24 99.21 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 121.805 0.812 . . . . 50.0 110.077 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -71.06 -43.22 68.23 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.929 -0.482 . . . . 50.0 109.748 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mt -56.11 -37.05 68.89 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 112.555 0.576 . . . . 50.0 112.555 -179.47 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.72 -31.86 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.673 -0.642 . . . . 50.0 112.695 175.315 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.65 -18.9 62.16 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.603 -1.311 . . . . 50.0 110.653 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -86.61 -2.45 58.51 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.908 0.861 . . . . 50.0 110.689 177.226 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.1 t -85.58 -12.14 52.28 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.033 -1.469 . . . . 50.0 107.033 177.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.204 -1.307 0 CA-C-O 123.486 1.613 . . . . 25.0 110.633 177.116 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 123.537 1.637 . . . . 25.0 114.901 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.99 138.45 52.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 107.153 -1.425 . . . . 25.0 107.153 176.474 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -77.01 131.13 38.29 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.546 -0.539 . . . . 50.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -166.95 -178.54 4.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 106.721 -1.585 . . . . 50.0 106.721 -174.943 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -78.15 135.62 37.69 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.477 -0.934 . . . . 50.0 108.477 172.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.4 mt -139.55 145.32 38.5 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.754 -0.832 . . . . 50.0 108.754 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -153.37 169.36 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.097 -0.705 . . . . 50.0 109.097 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.98 -143.89 13.64 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 122.255 0.919 . . . . 25.0 114.958 179.463 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.26 -26.57 65.03 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -38.66 87.85 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.086 0.469 . . . . 50.0 110.488 176.049 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -45.39 85.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 50.0 108.879 175.411 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.35 -41.8 88.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.979 0 N-CA-C 109.535 -0.542 . . . . 50.0 109.535 179.209 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -60.76 -45.1 95.63 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 121.696 -0.627 . . . . 50.0 111.261 178.015 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.46 96.18 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.691 -0.404 . . . . 25.0 111.266 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -37.11 85.9 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.316 0.579 . . . . 50.0 109.727 178.53 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -65.64 -44.8 85.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 122.054 -0.404 . . . . 25.0 110.937 176.566 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.12 -40.81 95.0 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.171 -0.611 . . . . 50.0 111.05 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -75.43 -40.35 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 119.59 -0.844 . . . . 50.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.33 -23.04 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.08 2.622 . . . . 50.0 118.08 -171.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.43 -33.63 87.77 Favored Glycine 0 C--O 1.221 -0.716 0 N-CA-C 109.571 -1.411 . . . . 25.0 109.571 176.301 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -81.6 10.49 5.89 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.402 0.519 . . . . 50.0 112.402 175.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.3 -43.19 3.38 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.971 -0.381 . . . . 50.0 109.971 174.764 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.62 33.7 0.38 Allowed Glycine 0 C--O 1.216 -1.023 0 N-CA-C 117.154 1.622 . . . . 25.0 117.154 175.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.24 51.99 0.78 Allowed Glycine 0 N--CA 1.465 0.586 0 CA-C-N 118.439 1.119 . . . . 25.0 111.824 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -107.04 142.27 36.95 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.968 -0.724 . . . . 50.0 112.733 -175.324 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -100.29 -5.24 27.76 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 123.384 0.674 . . . . 50.0 111.509 -179.024 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -78.57 83.66 2.19 Favored 'Trans proline' 0 C--N 1.399 3.2 0 C-N-CA 121.78 1.653 . . . . 25.0 112.78 176.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . 0.538 ' C ' ' HG1' ' B' ' 30' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' THR . . . . . 0.538 ' HG1' ' C ' ' B' ' 29' ' ' HIX . 6.0 m . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 123.896 1.808 . . . . 25.0 112.641 -176.065 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.051 0 N-CA-C 114.779 0.671 . . . . 25.0 114.779 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 tp -174.69 -46.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.394 0 C-N-CA 125.382 1.473 . . . . 25.0 111.59 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.52 -39.39 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 O-C-N 120.48 -1.388 . . . . 50.0 110.021 -175.513 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.87 2.5 14.43 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -115.79 -37.62 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.369 0.604 . . . . 50.0 111.982 174.889 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -98.14 -22.34 16.26 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.85 1.056 . . . . 50.0 113.85 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t -98.93 -54.39 3.01 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 m -63.53 -35.3 80.04 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.193 -0.912 . . . . 25.0 111.914 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -127.93 -173.86 3.05 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.243 -0.91 . . . . 50.0 109.655 177.008 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 mm -91.75 137.73 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.606 -0.887 . . . . 50.0 108.606 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.18 165.09 26.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.165 -1.42 . . . . 25.0 107.165 172.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -126.55 173.7 9.23 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 -176.948 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.56 -32.99 43.74 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 113.018 0.748 . . . . 50.0 113.018 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.16 -40.21 95.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 50.0 111.073 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.83 -45.87 48.64 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.496 -0.927 . . . . 50.0 108.496 178.73 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.04 -39.4 66.17 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 113.47 0.915 . . . . 75.0 113.47 -178.081 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.62 -35.09 71.94 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 117.558 0.163 . . . . 50.0 111.066 179.074 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -69.34 -21.91 63.79 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.934 -1.103 . . . . 50.0 112.666 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -87.71 -10.94 49.71 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 108.724 -0.843 . . . . 50.0 108.724 178.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.8 t -80.86 -39.91 25.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.065 0.936 . . . . 50.0 108.594 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 C--O 1.218 -0.602 0 CA-C-O 127.433 3.492 . . . . 25.0 112.611 -175.614 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.8 t80 . . . . . 0 N--CA 1.509 2.498 0 CA-C-O 123.314 1.53 . . . . 25.0 114.375 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.87 130.05 53.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 O-C-N 121.186 -0.947 . . . . 25.0 108.964 178.595 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -73.87 127.24 32.33 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.001 -1.481 . . . . 50.0 107.001 175.448 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -167.35 -179.52 4.52 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.891 -0.781 . . . . 50.0 108.891 -171.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -77.84 128.11 33.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.504 -0.925 . . . . 50.0 108.504 173.104 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.14 137.14 46.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.662 -0.866 . . . . 50.0 108.662 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.8 161.32 38.4 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.783 -0.451 . . . . 50.0 109.783 -177.777 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.97 -135.2 16.39 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 116.173 1.229 . . . . 25.0 116.173 176.272 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -61.49 -29.03 69.72 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 118.476 -0.773 . . . . 25.0 111.711 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.45 -39.08 93.14 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.382 0.537 . . . . 50.0 109.571 175.215 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -44.0 94.46 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.807 -0.558 . . . . 50.0 110.49 175.35 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.15 -42.01 93.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.962 0 N-CA-C 109.573 -0.528 . . . . 50.0 109.573 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.13 -43.23 95.83 Favored 'General case' 0 C--O 1.195 -1.797 0 C-N-CA 120.734 -0.386 . . . . 50.0 110.947 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.54 93.45 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 122.02 -0.425 . . . . 25.0 110.616 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.65 -38.29 89.72 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.581 0.705 . . . . 50.0 111.193 178.396 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -68.09 -42.1 80.86 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.798 -0.564 . . . . 25.0 111.31 179.564 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.09 -38.47 78.98 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.03 -1.043 . . . . 50.0 111.115 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -81.33 -35.66 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 119.655 -0.818 . . . . 50.0 113.115 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 t -125.9 -34.75 2.56 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.226 1.565 . . . . 50.0 115.226 -172.138 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.76 -40.74 99.2 Favored Glycine 0 C--O 1.218 -0.872 0 C-N-CA 120.135 -1.031 . . . . 25.0 112.804 -175.729 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.02 -2.61 31.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.451 0.908 . . . . 50.0 113.451 175.027 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -108.37 -24.05 11.62 Favored 'General case' 0 C--O 1.254 1.333 0 O-C-N 121.255 -0.903 . . . . 50.0 111.24 -179.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -124.04 -139.12 5.29 Favored Glycine 0 C--O 1.215 -1.046 0 N-CA-C 108.791 -1.723 . . . . 25.0 108.791 -178.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.29 -27.61 5.23 Favored Glycine 0 C--O 1.209 -1.438 0 C-N-CA 120.429 -0.891 . . . . 25.0 114.115 178.727 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.2 t80 65.17 175.0 0.21 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.478 1.288 . . . . 50.0 114.478 179.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -124.81 -6.0 7.43 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.318 0.859 . . . . 50.0 113.318 -174.199 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.02 72.23 6.62 Favored 'Trans proline' 0 C--N 1.394 2.927 0 C-N-CA 122.821 2.347 . . . . 25.0 112.374 -177.732 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.501 2.09 0 C-N-CA 126.073 1.749 . . . . 25.0 112.708 -171.764 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 114.413 1.264 . . . . 25.0 114.413 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.46 -45.61 81.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 121.528 -0.733 . . . . 25.0 109.975 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.6 -25.05 63.77 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.438 -0.346 . . . . 25.0 110.37 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -39.45 20.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.28 -36.02 5.7 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.416 2.006 . . . . 25.0 116.416 -173.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -75.82 -51.91 11.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.1 m -71.54 -48.66 47.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.128 1.159 . . . . 25.0 114.128 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -117.03 -177.43 3.2 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.973 -0.454 . . . . 25.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.11 134.44 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -132.87 166.48 22.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.9 t -137.9 170.86 15.32 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 -175.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -31.31 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.673 0.389 . . . . 25.0 111.372 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.01 -43.6 86.77 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.207 -0.451 . . . . 25.0 111.991 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -79.86 -37.83 34.05 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 121.028 -0.269 . . . . 25.0 110.814 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.97 -37.59 69.26 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 25.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.28 -26.03 68.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -71.67 -18.16 62.19 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.204 -0.935 . . . . 25.0 110.456 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.295 0.569 . . . . 25.0 109.75 178.407 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.222 -0.356 0 N-CA-C 107.327 -1.361 . . . . 25.0 107.327 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -77.7 125.73 29.78 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.425 -0.807 . . . . 25.0 110.1 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -164.52 177.64 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 -175.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.49 134.89 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 173.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 mt -138.34 138.64 38.51 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.85 166.11 31.54 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.232 -0.655 . . . . 25.0 109.232 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.39 -135.79 22.83 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 115.559 0.983 . . . . 25.0 115.559 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -62.41 -29.97 70.88 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.439 -0.448 . . . . 25.0 111.26 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -66.89 -37.06 83.67 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.12 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -46.31 85.47 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.122 174.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.45 -41.73 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 120.884 0.373 . . . . 25.0 110.001 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.15 -44.23 87.79 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.81 0.444 . . . . 25.0 111.776 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.31 94.99 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.14 -0.624 . . . . 25.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -37.85 87.86 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.467 0.48 . . . . 25.0 109.77 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.04 -44.43 84.61 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.97 -0.292 . . . . 25.0 111.545 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 mt -65.81 -40.52 91.94 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.618 -0.433 . . . . 25.0 110.948 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 119.785 -0.766 . . . . 25.0 112.473 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.48 -24.81 1.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 117.127 2.269 . . . . 25.0 117.127 -172.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.526 0 C-N-CA 119.331 -1.414 . . . . 25.0 110.816 176.77 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.449 HD13 ' CD2' ' A' ' 19' ' ' TYR . 4.6 tp . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.05 -43.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.545 -0.722 . . . . 25.0 110.32 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -74.84 -16.8 60.68 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.601 -0.687 . . . . 25.0 112.155 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -30.52 15.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -109.04 -41.82 4.6 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.614 1.339 . . . . 25.0 114.614 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -79.66 -26.33 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -101.09 -46.34 5.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.795 -0.638 . . . . 25.0 112.562 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -112.3 -177.12 3.08 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.893 -0.505 . . . . 25.0 110.293 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.7 mm -88.08 133.49 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.043 -1.466 . . . . 25.0 107.043 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.84 161.95 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -132.34 175.25 9.44 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.525 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.43 -50.36 73.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.786 -0.643 . . . . 25.0 111.375 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -68.8 -41.44 78.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 4.1 mp -55.99 -35.69 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.406 1.261 . . . . 25.0 114.406 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.1 -32.98 71.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.764 -0.374 . . . . 25.0 111.828 176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.6 -15.74 61.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.928 -0.483 . . . . 25.0 110.997 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CD2' HD13 ' A' ' 2' ' ' ILE . 49.0 m-85 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 25.0 110.512 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.236 0.387 0 N-CA-C 108.007 -1.108 . . . . 25.0 108.007 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -75.94 133.43 40.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.462 -1.311 . . . . 25.0 107.462 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -167.29 -179.29 4.44 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -81.23 134.37 35.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -135.29 139.84 44.68 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -151.0 163.02 39.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.34 -138.85 21.9 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.022 1.169 . . . . 25.0 116.022 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.49 -31.32 69.24 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.21 -0.495 . . . . 25.0 111.801 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -65.97 -36.53 83.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.527 -0.733 . . . . 25.0 110.611 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -44.48 86.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.4 -44.4 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 120.952 -0.299 . . . . 25.0 110.231 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -59.43 -43.08 93.17 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.665 -0.243 . . . . 25.0 111.245 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.18 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.796 -0.565 . . . . 25.0 111.176 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.48 -37.12 86.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.245 0.545 . . . . 25.0 111.087 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -66.21 -40.92 90.69 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.094 -0.379 . . . . 25.0 111.268 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 mt -68.57 -38.82 81.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.772 -0.58 . . . . 25.0 111.012 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.23 -38.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -123.16 -29.98 3.8 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 116.842 2.164 . . . . 25.0 116.842 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.032 0 N-CA-C 110.602 -0.999 . . . . 25.0 110.602 179.032 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 121.173 0.511 . . . . 25.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.3 t -56.57 -47.93 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -176.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.26 2.25 13.78 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.115 -0.99 . . . . 25.0 113.327 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -116.35 -24.98 7.68 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 m -111.71 -33.42 6.34 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.83 -49.41 12.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.7 m -75.87 -39.3 56.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -176.57 3.02 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.937 -0.477 . . . . 25.0 111.7 -177.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -96.31 132.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.01 153.99 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -115.32 175.55 5.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -32.45 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.545 0.528 . . . . 25.0 112.107 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.48 -43.96 97.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.456 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -69.56 -44.18 71.42 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 107.892 -1.151 . . . . 25.0 107.892 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.38 -39.53 60.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.66 -35.88 71.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -71.29 -18.84 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.119 -0.363 . . . . 25.0 111.063 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 . . . . . 0 C--O 1.216 -0.68 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 178.09 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.4 t . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 107.225 -1.398 . . . . 25.0 107.225 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -68.41 122.31 18.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -162.34 178.17 8.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.492 -1.299 . . . . 25.0 107.492 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -74.93 109.87 8.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -111.42 136.18 50.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 107.064 -1.458 . . . . 25.0 107.064 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -151.93 164.09 37.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.249 -0.432 . . . . 25.0 110.01 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.26 -135.15 32.37 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.481 0.952 . . . . 25.0 115.481 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -60.23 -31.73 70.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.836 -0.682 . . . . 25.0 110.289 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -69.52 -34.77 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.749 -0.594 . . . . 25.0 110.774 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.29 92.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 174.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.12 -43.88 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.71 -42.07 92.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.15 -0.344 . . . . 25.0 111.777 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.82 82.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.687 -0.405 . . . . 25.0 110.443 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -35.64 79.81 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.212 0.53 . . . . 25.0 109.711 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.65 -42.61 77.71 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.75 -38.52 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.711 -0.618 . . . . 25.0 111.927 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -82.59 -32.84 10.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -126.08 -35.38 2.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 114.452 1.278 . . . . 25.0 114.452 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.72 0 C-N-CA 119.839 -1.172 . . . . 25.0 112.674 179.714 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.477 HD11 HD22 ' B' ' 11' ' ' LEU . 20.3 tt . . . . . 0 C--O 1.218 -0.565 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.17 -48.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 121.211 -0.931 . . . . 25.0 109.302 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -66.23 -32.56 74.06 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.814 -0.554 . . . . 25.0 111.85 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -79.98 -38.61 31.85 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 114.038 1.125 . . . . 25.0 114.038 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -107.21 -42.02 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.984 1.476 . . . . 25.0 114.984 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.0 m -74.6 -56.26 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -73.24 -45.84 53.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.329 -0.85 . . . . 25.0 112.702 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -113.55 -172.5 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.62 131.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -129.63 161.78 29.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -120.53 167.98 11.83 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 -177.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.62 -31.91 62.68 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.02 -0.536 . . . . 25.0 111.699 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.254 0.55 . . . . 25.0 110.455 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.83 -39.91 66.19 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mp -57.11 -36.12 70.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.06 -30.91 71.31 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.835 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -71.92 -13.95 61.79 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.788 -0.57 . . . . 25.0 110.213 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.434 . . . . 25.0 110.583 178.251 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 CA--C 1.52 -0.197 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -70.3 126.49 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -164.76 174.49 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -173.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -74.12 131.21 41.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -137.54 140.97 41.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.11 167.69 28.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.332 -0.147 . . . . 25.0 110.651 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.29 -139.92 29.17 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 114.581 0.592 . . . . 25.0 114.581 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -28.22 68.87 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.463 -0.434 . . . . 25.0 111.925 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.65 -37.02 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.623 -0.673 . . . . 25.0 110.485 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.477 HD22 HD11 ' A' ' 2' ' ' ILE . 0.7 OUTLIER -63.96 -44.75 91.85 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 172.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.1 t -60.32 -43.23 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -61.99 -43.74 98.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 122.043 -0.411 . . . . 25.0 110.59 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.29 99.72 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -35.2 80.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 25.0 110.714 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.16 -42.47 84.24 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.123 -0.361 . . . . 25.0 111.101 175.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.79 -41.19 88.02 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.41 -0.806 . . . . 25.0 110.454 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.61 -32.53 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -122.94 -42.94 2.26 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.101 1.519 . . . . 25.0 115.101 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.707 0 C-N-CA 120.587 -0.816 . . . . 25.0 113.192 -179.195 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.406 HD13 ' CD2' ' A' ' 19' ' ' TYR . 6.6 tp . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.45 -45.19 89.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.851 -0.53 . . . . 25.0 110.665 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -74.98 -30.67 61.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.635 0.731 . . . . 25.0 110.543 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.01 -40.37 65.25 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.827 -0.546 . . . . 25.0 112.404 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.4 m -105.85 -39.41 6.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.824 1.787 . . . . 25.0 115.824 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -80.7 -53.78 6.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.8 m -70.21 -45.52 66.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.269 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -116.35 -175.61 2.79 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 122.042 -0.411 . . . . 25.0 111.603 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -88.71 138.66 18.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.93 159.3 42.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.305 0.574 . . . . 25.0 111.501 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -122.85 164.61 18.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.044 -0.98 . . . . 25.0 109.341 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.24 -30.95 66.94 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.85 -0.614 . . . . 25.0 111.252 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -60.43 -42.6 96.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.71 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -75.92 -38.6 57.51 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 2.4 mp -54.83 -39.21 68.31 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.68 -31.35 68.13 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.999 -0.68 . . . . 25.0 111.991 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.27 -20.07 62.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.314 -0.866 . . . . 25.0 111.036 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.456 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 83.2 m-85 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.735 0.303 . . . . 25.0 110.322 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.24 0.566 0 N-CA-C 106.771 -1.566 . . . . 25.0 106.771 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -72.74 132.78 44.08 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -165.79 -179.11 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -173.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.45 133.68 35.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 171.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.46 137.04 39.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.48 162.24 39.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.64 -136.64 17.97 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.969 1.148 . . . . 25.0 115.969 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.8 p -60.63 -30.23 69.74 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.463 -0.434 . . . . 25.0 111.97 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -66.79 -35.93 81.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.964 -0.46 . . . . 25.0 110.463 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -44.13 82.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.702 -0.481 . . . . 25.0 109.702 174.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.9 t -61.7 -40.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -61.14 -44.01 97.99 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 122.078 -0.389 . . . . 25.0 110.645 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.18 99.45 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.224 -0.59 . . . . 25.0 111.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.64 -37.65 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.708 0.289 . . . . 25.0 111.14 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -65.09 -41.62 94.82 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.989 -0.445 . . . . 25.0 110.474 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.49 -41.66 88.6 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.858 -0.526 . . . . 25.0 110.414 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.61 -36.82 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -114.84 -39.19 3.76 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 116.348 1.981 . . . . 25.0 116.348 -172.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.232 0 N-CA-C 110.836 -0.906 . . . . 25.0 110.836 -179.522 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.497 HD11 HD22 ' B' ' 11' ' ' LEU . 18.3 tt . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -63.98 -44.67 97.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.193 -0.942 . . . . 25.0 109.912 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.68 -12.57 59.81 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.07 -1.019 . . . . 25.0 112.263 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.11 -28.56 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.6 m -114.25 -40.42 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.604 0.965 . . . . 25.0 113.604 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.03 -52.61 12.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -73.41 -43.87 59.59 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -118.13 -178.28 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.691 -0.631 . . . . 25.0 110.246 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -91.13 132.92 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -133.47 158.62 42.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -121.66 173.65 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.187 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.446 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.29 -27.7 56.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.015 0.436 . . . . 25.0 111.831 176.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.63 -47.58 85.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.607 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -72.4 -39.87 67.62 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB3' HG11 ' B' ' 18' ' ' VAL . 5.9 mp -60.1 -33.24 71.83 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.438 0.903 . . . . 25.0 113.438 -176.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.72 -33.12 71.21 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.479 -0.888 . . . . 25.0 111.285 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.76 -13.96 60.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.69 -0.631 . . . . 25.0 110.671 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 21.1 m-85 . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.239 0.514 0 CA-C-O 121.736 0.779 . . . . 25.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.39 127.82 33.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.385 -0.825 . . . . 25.0 110.269 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -163.93 176.61 9.26 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.854 -1.535 . . . . 25.0 106.854 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -73.72 132.32 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.7 mt -135.29 139.6 44.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.24 162.46 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -177.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.0 -137.93 16.73 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 115.529 0.972 . . . . 25.0 115.529 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -27.96 67.06 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -38.05 82.83 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.55 -0.719 . . . . 25.0 109.726 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 2' ' ' ILE . 0.6 OUTLIER -63.77 -44.78 92.4 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 174.697 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.73 -42.23 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.488 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -60.22 -45.63 92.54 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.331 -0.148 . . . . 25.0 110.616 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.74 98.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.526 -0.47 . . . . 25.0 110.766 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.33 -36.15 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 25.0 111.268 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.82 -40.58 88.07 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.171 -0.33 . . . . 25.0 110.672 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.8 mt -67.57 -41.49 84.09 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.546 -0.721 . . . . 25.0 110.157 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.425 HG11 ' HB3' ' A' ' 16' ' ' LEU . 12.9 p -79.84 -33.13 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -122.04 -32.86 3.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.435 2.383 . . . . 25.0 117.435 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 179.461 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 121.794 0.807 . . . . 25.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.38 -48.59 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.112 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -79.69 13.33 2.14 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -114.92 -45.55 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 25.0 109.991 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 m -93.83 -35.82 12.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.5 -26.75 38.0 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.4 m -96.81 -42.92 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.091 0.774 . . . . 25.0 113.091 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -115.81 -177.01 3.06 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.167 -0.333 . . . . 25.0 110.327 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.21 130.13 39.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -128.89 152.49 48.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.771 0.32 . . . . 25.0 110.352 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -121.19 168.73 11.27 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.56 -33.71 64.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.546 0.689 . . . . 25.0 112.064 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -57.89 -44.19 86.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 25.0 111.031 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -74.96 -41.12 60.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.6 mm? -52.52 -39.14 61.01 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.139 0.576 . . . . 25.0 111.478 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.77 -31.89 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.817 1.043 . . . . 25.0 113.817 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.17 -19.7 64.0 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.309 -0.869 . . . . 25.0 111.026 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.945 0.402 . . . . 25.0 109.935 -179.107 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.235 0.304 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -76.06 130.56 38.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.579 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -166.13 -179.66 5.24 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -80.27 79.67 6.81 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.401 0.438 . . . . 25.0 111.241 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -77.13 133.64 38.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 25.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -144.92 162.45 36.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.278 -0.419 . . . . 25.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.44 -136.34 27.07 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -30.26 69.82 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.341 -0.505 . . . . 25.0 111.262 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.44 87.19 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.938 -0.476 . . . . 25.0 109.741 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -43.44 94.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -41.91 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.901 -0.319 . . . . 25.0 110.357 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.25 -41.61 97.21 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 122.26 -0.275 . . . . 25.0 110.625 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.1 -46.2 88.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.43 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.95 -39.0 87.85 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.904 0.383 . . . . 25.0 110.111 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -65.4 -44.03 88.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.663 -0.244 . . . . 25.0 111.223 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.07 -39.62 78.99 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.1 -0.64 . . . . 25.0 111.826 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.484 HG11 ' HB3' ' A' ' 16' ' ' LEU . 11.7 p -79.49 -34.75 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 m -129.97 -35.86 1.6 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 115.196 1.554 . . . . 25.0 115.196 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.871 0 C-N-CA 120.485 -0.864 . . . . 25.0 112.211 -178.139 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.84 -49.91 79.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.563 -0.71 . . . . 25.0 109.39 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.74 -26.18 61.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -87.52 -24.63 24.01 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.7 t -119.83 -40.63 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 t -78.18 -55.24 5.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -72.25 -42.69 65.37 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 m -112.71 -176.75 2.98 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.032 -0.417 . . . . 25.0 111.659 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.05 122.88 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -107.99 156.36 19.31 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.385 0.612 . . . . 25.0 110.36 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -123.87 159.42 29.67 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.114 -1.439 . . . . 25.0 107.114 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.45 -32.88 63.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.608 0.363 . . . . 25.0 111.91 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.53 -43.96 96.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 25.0 111.902 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -72.46 -37.06 68.61 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.95 -32.26 70.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.177 -0.609 . . . . 25.0 112.047 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.06 -35.3 73.11 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.851 -0.531 . . . . 25.0 111.226 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.21 -16.89 61.96 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.682 -0.636 . . . . 25.0 110.969 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 25.0 109.941 177.883 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.236 0.355 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -71.74 127.03 31.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.949 -0.569 . . . . 25.0 110.912 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -166.26 177.63 6.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -75.71 130.42 38.66 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.7 mt -136.57 140.24 42.75 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.91 165.78 30.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.65 -138.37 24.59 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.849 0.7 . . . . 25.0 114.849 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -59.54 -27.59 66.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -37.62 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.922 -0.486 . . . . 25.0 110.735 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -47.19 83.96 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.64 -42.68 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.288 -0.414 . . . . 25.0 110.525 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.77 -43.93 97.4 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 122.038 -0.413 . . . . 25.0 111.851 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.2 95.4 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -36.21 83.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.277 0.56 . . . . 25.0 109.888 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -65.72 -43.31 89.47 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.903 -0.498 . . . . 25.0 110.887 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.51 -41.63 92.94 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.649 -0.657 . . . . 25.0 110.903 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -77.81 -36.74 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 t -122.5 -40.64 2.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.831 1.419 . . . . 25.0 114.831 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.422 0 C-N-CA 120.378 -0.915 . . . . 25.0 112.262 -179.59 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.08 -38.55 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 O-C-N 121.389 -0.82 . . . . 25.0 110.775 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.34 -28.14 61.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.161 0.505 . . . . 25.0 111.303 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.1 -37.88 21.46 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 112.875 0.694 . . . . 25.0 112.875 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -104.71 -42.21 5.45 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.9 1.445 . . . . 25.0 114.9 -174.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -76.88 -56.67 4.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 118.664 -1.214 . . . . 25.0 108.357 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -69.18 -43.68 73.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -116.32 -173.2 2.32 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.148 -0.345 . . . . 25.0 111.32 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -93.61 133.51 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.245 -1.391 . . . . 25.0 107.245 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -132.66 160.26 37.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.375 0.607 . . . . 25.0 110.123 175.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -116.07 166.89 11.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.223 -0.899 . . . . 25.0 110.585 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -28.12 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.544 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.68 -44.37 93.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.343 0.592 . . . . 25.0 110.318 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.02 -36.99 69.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.56 -39.56 76.96 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.553 -0.459 . . . . 25.0 111.43 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.09 -30.24 67.95 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.008 0.744 . . . . 25.0 113.008 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -72.52 -18.59 61.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.215 -0.928 . . . . 25.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 122.072 -0.393 . . . . 25.0 110.126 177.163 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.242 0.694 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.97 135.26 44.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.432 -1.321 . . . . 25.0 107.432 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -168.13 177.99 5.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.867 -1.531 . . . . 25.0 106.867 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -78.11 133.75 37.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -135.21 137.32 42.52 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.6 162.72 39.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.46 -138.95 16.63 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 115.716 1.047 . . . . 25.0 115.716 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -28.34 67.1 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.445 -0.378 . . . . 25.0 112.019 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -69.22 -36.41 77.2 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 122.079 -0.388 . . . . 25.0 110.529 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.76 -46.74 86.61 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.55 -38.47 82.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.79 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.7 -43.89 97.64 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.956 -0.465 . . . . 25.0 111.352 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.17 97.73 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.38 -36.82 83.47 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.471 -0.331 . . . . 25.0 110.636 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -65.68 -42.22 91.5 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.718 -0.614 . . . . 25.0 110.578 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.9 -38.6 86.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.281 -0.568 . . . . 25.0 110.857 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -83.83 -33.63 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -125.88 -26.94 3.38 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 115.467 1.655 . . . . 25.0 115.467 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.649 0 N-CA-C 109.39 -1.484 . . . . 25.0 109.39 178.068 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 114.251 1.204 . . . . 25.0 114.251 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -65.77 -44.77 93.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.399 -0.964 . . . . 25.0 108.399 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.26 -15.52 60.98 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.101 -0.5 . . . . 25.0 112.305 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -90.38 -39.64 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.03 -40.56 4.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -77.77 -17.08 57.91 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.027 -0.669 . . . . 25.0 109.743 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -106.96 -56.16 2.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.389 -0.368 . . . . 25.0 111.78 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -175.92 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.782 -0.574 . . . . 25.0 111.556 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mm -86.48 133.39 29.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -133.0 160.62 36.63 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -126.47 175.36 7.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 25.0 109.874 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.47 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -55.33 -32.68 62.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.512 -0.767 . . . . 25.0 111.706 177.436 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.73 -48.77 80.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.513 . . . . 25.0 111.363 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.73 -41.49 83.37 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 120.167 -0.613 . . . . 25.0 109.469 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.49 -35.8 72.78 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -61.45 -29.81 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.296 -0.561 . . . . 25.0 111.578 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -71.02 -17.1 62.64 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.432 -0.792 . . . . 25.0 110.485 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 . . . . . 0 C--O 1.223 -0.325 0 CA-C-O 121.217 0.532 . . . . 25.0 109.689 179.06 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.236 0.362 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -78.84 125.66 29.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -163.07 177.76 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 -174.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -76.21 134.38 39.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.4 mt -138.01 143.25 40.52 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.9 164.5 36.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.579 -0.282 . . . . 25.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.72 -140.08 16.21 Favored Glycine 0 C--O 1.221 -0.662 0 N-CA-C 116.351 1.3 . . . . 25.0 116.351 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -60.14 -26.72 66.5 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.484 -0.421 . . . . 25.0 111.846 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -38.49 81.16 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.874 -0.516 . . . . 25.0 110.17 176.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -44.67 94.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.96 -43.24 97.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.312 -0.403 . . . . 25.0 110.162 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.58 -45.15 95.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 118.149 0.431 . . . . 25.0 110.67 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.781 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.863 0.363 . . . . 25.0 111.32 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.79 -40.04 83.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.286 -0.258 . . . . 25.0 110.811 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -68.85 -38.52 79.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.056 -0.403 . . . . 25.0 111.307 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.55 -34.05 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 t -131.08 -23.71 2.43 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 116.74 2.126 . . . . 25.0 116.74 -172.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.875 0 C-N-CA 120.46 -0.876 . . . . 25.0 111.796 -179.457 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.79 -44.51 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 O-C-N 121.901 -0.5 . . . . 25.0 111.102 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.71 -30.84 68.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.404 0.621 . . . . 25.0 111.273 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -77.4 -41.63 39.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.732 -0.667 . . . . 25.0 112.76 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.8 m -106.99 -38.48 6.02 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 116.158 1.91 . . . . 25.0 116.158 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -80.31 -53.1 6.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 m -72.26 -42.7 65.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.105 -0.952 . . . . 25.0 112.441 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -118.22 -173.17 2.4 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 120.7 0.286 . . . . 25.0 111.269 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.8 mm -94.94 133.44 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -135.17 160.5 38.17 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -127.29 177.39 6.74 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -30.96 64.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.665 0.386 . . . . 25.0 111.69 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -60.78 -46.29 91.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.365 0.602 . . . . 25.0 110.342 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -71.08 -42.85 68.84 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 107.694 -1.224 . . . . 25.0 107.694 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 2.5 mp -56.4 -36.75 69.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.4 1.259 . . . . 25.0 114.4 -176.309 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.34 -30.82 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -70.47 -15.6 62.83 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.849 -0.532 . . . . 25.0 111.096 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 90.6 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.521 0.677 . . . . 25.0 109.941 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -79.39 132.33 36.37 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -166.46 177.39 6.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.669 -1.604 . . . . 25.0 106.669 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -73.92 132.78 42.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.9 mt -135.12 131.85 37.37 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -144.78 161.9 38.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.726 . . . . 25.0 109.038 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.4 -136.94 21.17 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 116.141 1.216 . . . . 25.0 116.141 177.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -61.17 -29.71 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.483 -0.358 . . . . 25.0 111.784 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -41.44 97.91 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -44.97 88.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.389 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.77 -41.79 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 121.011 -0.276 . . . . 25.0 110.28 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -62.55 -41.21 98.76 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 122.012 -0.43 . . . . 25.0 111.544 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.32 93.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.661 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.16 -36.86 83.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.611 0.569 . . . . 25.0 110.998 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -66.13 -41.09 90.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.097 0.475 . . . . 25.0 111.698 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.61 -39.89 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.57 -0.706 . . . . 25.0 111.945 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.56 -36.83 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.83 -26.63 2.18 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 117.494 2.405 . . . . 25.0 117.494 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.546 0 C-N-CA 120.167 -1.016 . . . . 25.0 110.931 -177.737 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 112.305 0.483 . . . . 25.0 112.305 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.13 -46.98 86.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 121.656 -0.653 . . . . 25.0 110.474 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -72.01 -31.33 66.1 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.338 -0.851 . . . . 25.0 111.722 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -37.35 60.36 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.1 m -111.51 -40.72 4.28 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.1 m -74.91 -52.21 11.85 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -75.86 -43.6 44.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -116.08 -176.1 2.88 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.353 0.871 . . . . 25.0 113.353 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -91.41 130.72 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.504 -1.295 . . . . 25.0 107.504 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -129.7 155.6 45.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 m -118.45 162.52 18.19 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.874 -1.057 . . . . 25.0 109.879 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -33.99 58.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.759 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -58.83 -45.91 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.572 . . . . 25.0 111.956 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -76.26 -34.52 59.15 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 119.483 -0.887 . . . . 25.0 109.568 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 1.5 mp -54.95 -38.23 67.46 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -53.62 -36.5 62.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -67.99 -25.94 65.66 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.584 -0.697 . . . . 25.0 111.145 -177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.413 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 98.0 m-85 . . . . . 0 C--O 1.219 -0.528 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.236 0.379 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.92 136.28 43.31 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -167.9 178.69 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.245 -1.391 . . . . 25.0 107.245 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -77.54 134.89 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.162 -1.422 . . . . 25.0 107.162 171.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.9 mt -136.58 136.85 39.59 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -153.64 164.39 38.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.73 29.96 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 114.621 0.608 . . . . 25.0 114.621 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -30.27 69.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.587 -0.307 . . . . 25.0 111.528 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -64.21 -38.55 91.46 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.056 -0.403 . . . . 25.0 110.586 175.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -42.86 90.94 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.689 -0.485 . . . . 25.0 109.689 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.3 -43.5 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-O 120.79 0.329 . . . . 25.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -59.97 -44.28 94.57 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.842 0.353 . . . . 25.0 110.589 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.23 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 25.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.24 -37.72 88.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.466 . . . . 25.0 110.898 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -66.28 -40.86 90.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.009 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.2 -41.6 85.55 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.7 -0.625 . . . . 25.0 110.79 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 16' ' ' LEU . 12.3 p -79.61 -33.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 -177.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.44 -34.21 2.72 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.939 1.829 . . . . 25.0 115.939 -175.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -1.014 0 C-N-CA 120.344 -0.932 . . . . 25.0 112.413 -178.653 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.471 0.581 0 N-CA-C 112.627 0.603 . . . . 25.0 112.627 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.1 t -67.03 -43.0 89.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 121.866 -0.521 . . . . 25.0 109.802 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.92 -36.66 72.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.011 0.91 . . . . 25.0 109.62 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -67.03 -42.57 84.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.595 -0.73 . . . . 25.0 112.693 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -110.24 -35.26 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 116.071 1.878 . . . . 25.0 116.071 -173.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.74 -51.2 8.93 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -72.65 -48.86 35.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.686 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -114.24 -176.13 2.83 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.534 -0.729 . . . . 25.0 111.993 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.51 132.62 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.47 164.35 21.33 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -129.95 164.48 24.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.94 -33.7 64.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.103 0.477 . . . . 25.0 112.209 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.31 -45.26 91.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.948 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.0 -41.05 74.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.76 -35.85 69.12 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -56.83 -33.08 66.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -67.82 -18.72 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.532 -0.73 . . . . 25.0 111.401 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.127 -178.698 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.234 0.25 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -75.05 127.6 33.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.64 . . . . 25.0 109.76 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -164.27 177.58 8.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -77.37 136.14 38.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 172.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -137.77 139.04 39.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 164.7 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.02 -140.98 21.54 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 116.267 1.267 . . . . 25.0 116.267 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 p -60.52 -31.4 70.48 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.345 -0.428 . . . . 25.0 111.106 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -37.62 88.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.911 -0.493 . . . . 25.0 110.955 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -45.34 84.61 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.68 -42.08 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.17 -44.45 96.57 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 122.426 -0.171 . . . . 25.0 111.185 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.01 99.55 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.017 -0.427 . . . . 25.0 110.787 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.76 -38.46 90.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 25.0 110.994 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -65.19 -40.4 94.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.843 -0.535 . . . . 25.0 111.047 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.511 -0.743 . . . . 25.0 110.853 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -78.86 -35.95 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 m -120.26 -38.4 2.92 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 116.961 2.208 . . . . 25.0 116.961 -175.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 C-N-CA 120.462 -0.875 . . . . 25.0 112.14 -178.437 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.463 0.649 . . . . 25.0 112.624 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.32 -46.66 89.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.137 -0.977 . . . . 25.0 110.444 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.2 -27.76 64.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.077 0.465 . . . . 25.0 111.12 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.44 -30.45 17.34 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 114.056 1.132 . . . . 25.0 114.056 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.7 m -109.78 -37.34 5.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.564 1.69 . . . . 25.0 115.564 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -79.78 -54.99 5.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.365 -1.717 . . . . 25.0 106.365 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -70.58 -44.56 67.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.598 -0.728 . . . . 25.0 112.529 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -114.69 -176.98 3.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.033 0.444 . . . . 25.0 112.027 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -91.54 132.4 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -129.51 150.99 50.61 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.1 t -110.1 161.78 15.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -55.01 -34.04 63.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.44 0.638 . . . . 25.0 111.161 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 25.0 111.575 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -78.71 -37.06 42.47 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.171 -0.442 . . . . 25.0 110.829 176.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.77 -37.47 63.48 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.557 0.617 . . . . 25.0 109.838 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.89 -33.35 68.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.66 -20.8 65.35 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.854 -0.529 . . . . 25.0 111.214 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.218 -0.583 0 CA-C-O 120.868 0.366 . . . . 25.0 110.872 -179.631 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -73.29 125.29 27.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -164.21 176.81 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -171.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -74.48 132.0 41.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.579 -0.897 . . . . 25.0 108.579 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -139.12 138.47 37.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.732 -0.84 . . . . 25.0 108.732 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.67 168.62 23.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.49 -141.9 37.77 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-O 122.406 1.004 . . . . 25.0 115.283 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -28.2 69.05 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 114.754 -0.723 . . . . 25.0 111.448 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -68.35 -36.91 79.94 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.612 -0.68 . . . . 25.0 109.86 176.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -44.28 92.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.147 -0.316 . . . . 25.0 110.147 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.6 -43.23 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.55 -44.73 89.77 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 122.131 -0.356 . . . . 25.0 110.733 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.48 89.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.582 -0.447 . . . . 25.0 110.269 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -36.22 82.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 25.0 111.262 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.38 -40.99 85.72 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.165 -0.334 . . . . 25.0 110.902 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -66.58 -41.73 88.07 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.651 -0.656 . . . . 25.0 110.899 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.82 -33.79 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.98 -32.64 2.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 116.016 1.858 . . . . 25.0 116.016 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.237 -0.982 . . . . 25.0 112.825 -177.516 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.481 HD11 HD22 ' B' ' 11' ' ' LEU . 17.7 tt . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.04 0.385 . . . . 25.0 112.04 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.26 -45.05 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 121.406 -0.809 . . . . 25.0 109.015 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.26 -21.4 61.38 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 121.61 0.719 . . . . 25.0 112.523 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -90.68 -36.07 14.57 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.7 m -109.32 -41.07 4.74 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.0 -51.67 20.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m -75.37 -43.53 49.85 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -117.5 -176.05 2.94 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 -174.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mm -91.28 131.36 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.99 156.9 48.24 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -116.35 173.21 6.72 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.83 -30.73 64.04 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.813 -0.63 . . . . 25.0 111.428 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.01 -47.58 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.38 -39.81 81.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.12 -36.78 73.43 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.863 -0.523 . . . . 25.0 112.229 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.69 -30.21 68.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.882 -0.58 . . . . 25.0 111.836 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -68.47 -20.68 64.62 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.649 0.738 . . . . 25.0 110.994 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.287 -0.869 . . . . 25.0 110.779 179.78 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 107.435 -1.32 . . . . 25.0 107.435 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -74.7 129.21 37.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.255 0.55 . . . . 25.0 109.704 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -164.96 177.04 8.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 -172.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -74.34 133.36 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 32.1 mt -134.64 136.15 42.65 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.33 163.82 37.36 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.54 -139.03 12.55 Favored Glycine 0 N--CA 1.463 0.5 0 N-CA-C 115.952 1.141 . . . . 25.0 115.952 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -27.9 68.36 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.974 -0.721 . . . . 25.0 111.316 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -67.48 -37.86 83.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.367 -0.833 . . . . 25.0 110.754 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -63.71 -44.81 92.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 174.387 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.66 -43.75 97.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.89 -45.05 91.17 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.785 -0.572 . . . . 25.0 111.026 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.61 98.72 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.744 -0.383 . . . . 25.0 110.397 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.88 -36.59 84.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.222 0.534 . . . . 25.0 112.222 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -68.17 -41.72 81.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.455 -0.338 . . . . 25.0 110.22 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.21 -41.31 86.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.831 -0.543 . . . . 25.0 110.487 -177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.05 -33.46 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.761 -0.776 . . . . 25.0 112.893 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 t -124.69 -33.46 2.97 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 116.715 2.116 . . . . 25.0 116.715 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.661 0 C-N-CA 120.427 -0.892 . . . . 25.0 111.831 -179.741 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 C--O 1.224 -0.259 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.94 -46.4 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -68.98 -26.24 64.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.937 -0.477 . . . . 25.0 111.572 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -79.57 -42.42 25.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.53 -35.72 5.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 116.323 1.971 . . . . 25.0 116.323 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.36 -48.0 16.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.471 -1.677 . . . . 25.0 106.471 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 m -72.17 -44.76 62.55 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -125.37 -176.88 3.71 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.553 -0.717 . . . . 25.0 112.58 -176.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.26 134.11 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -131.93 154.98 48.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -118.81 164.27 15.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.828 -0.624 . . . . 25.0 109.425 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -33.96 55.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 25.0 112.415 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.17 -39.26 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.394 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.86 -38.87 24.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.29 -37.78 65.16 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.774 -0.648 . . . . 25.0 111.881 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.87 -34.13 67.55 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.14 0.793 . . . . 25.0 113.14 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.6 -16.08 62.28 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.852 -0.53 . . . . 25.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 177.427 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--O 1.242 0.686 0 N-CA-C 108.441 -0.948 . . . . 25.0 108.441 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -71.77 121.12 18.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -161.16 177.53 10.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 -171.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.08 132.29 43.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -137.44 138.88 40.25 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.198 -1.038 . . . . 25.0 108.198 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -152.26 167.22 29.32 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -140.84 28.07 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 115.743 1.057 . . . . 25.0 115.743 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -61.38 -29.01 69.65 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.711 -0.288 . . . . 25.0 111.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -65.22 -38.81 91.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.473 -0.767 . . . . 25.0 110.78 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -45.48 89.21 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.05 -42.88 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.69 -0.485 . . . . 25.0 109.69 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.77 -42.77 99.41 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.521 -0.112 . . . . 25.0 110.74 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.76 95.68 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.282 -0.567 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -38.57 90.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.521 0.677 . . . . 25.0 109.658 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -67.48 -41.77 84.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 25.0 112.17 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.07 -38.54 82.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.545 -0.722 . . . . 25.0 110.796 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.53 -38.56 22.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.096 -0.642 . . . . 25.0 112.29 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.8 t -125.88 -30.22 3.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.532 2.049 . . . . 25.0 116.532 -173.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.858 0 C-N-CA 120.031 -1.081 . . . . 25.0 111.732 -179.339 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.82 -49.66 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 121.219 -0.926 . . . . 25.0 111.934 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -73.68 -16.78 61.19 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.267 -0.895 . . . . 25.0 111.43 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -83.86 -49.64 8.85 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 121.881 -0.512 . . . . 25.0 111.747 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -106.02 -21.9 13.02 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.281 1.586 . . . . 25.0 115.281 -169.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -86.81 -50.22 6.88 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.77 -1.567 . . . . 25.0 106.77 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.0 m -72.25 -45.89 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.631 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -114.36 -171.61 1.95 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 mm -95.92 133.51 36.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 C-N-CA 123.455 0.702 . . . . 25.0 110.591 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -121.28 146.82 46.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 25.0 110.401 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -106.29 168.4 9.17 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -55.88 -30.77 62.07 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.66 0.743 . . . . 25.0 111.901 177.246 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.42 -47.0 87.14 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.543 -0.753 . . . . 25.0 111.308 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -72.34 -38.66 68.55 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.417 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.9 mm? -56.27 -35.86 67.93 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.836 0.289 . . . . 25.0 111.741 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.73 -28.3 69.33 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -67.72 -13.16 61.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.317 -0.864 . . . . 25.0 110.559 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 122.303 -0.248 . . . . 25.0 110.813 -178.353 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.4 t . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -72.59 131.02 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.796 -1.187 . . . . 25.0 107.796 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -166.83 -179.6 4.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.439 -0.948 . . . . 25.0 108.439 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.3 131.95 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 105.798 -1.927 . . . . 25.0 105.798 172.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.8 mt -132.49 137.49 47.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.25 159.9 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.915 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -134.42 17.69 Favored Glycine 0 N--CA 1.466 0.691 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -30.67 69.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.039 -0.58 . . . . 25.0 111.806 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.17 -34.51 76.44 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.089 -1.007 . . . . 25.0 110.967 176.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -43.15 90.01 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 175.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.41 -41.91 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.263 178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.81 -44.28 94.06 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 122.238 -0.289 . . . . 25.0 111.125 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.15 95.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.066 -0.396 . . . . 25.0 110.743 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -34.14 77.58 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.597 0.237 . . . . 25.0 111.293 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -68.37 -44.37 75.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.653 -0.419 . . . . 25.0 110.766 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.634 0.731 . . . . 25.0 110.209 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 16' ' ' LEU . 7.8 p -82.56 -32.81 10.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 114.501 1.297 . . . . 25.0 114.501 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -123.73 -34.18 3.07 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.184 1.92 . . . . 25.0 116.184 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.397 0 C-N-CA 120.218 -0.991 . . . . 25.0 111.449 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 CA--C 1.548 0.887 0 CA-C-O 120.745 0.307 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.28 -43.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.196 -0.315 . . . . 25.0 111.17 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -70.05 -28.14 65.21 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.211 -0.931 . . . . 25.0 111.469 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.35 -33.69 20.48 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 113.102 0.778 . . . . 25.0 113.102 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.8 m -106.43 -35.52 7.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.5 1.667 . . . . 25.0 115.5 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -80.95 -53.23 6.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.9 m -71.49 -46.44 59.81 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -177.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.7 p -114.2 -177.2 3.07 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 122.148 -0.345 . . . . 25.0 110.546 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.2 mm -91.44 133.71 32.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.08 155.63 44.08 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -122.14 164.97 16.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.248 -0.887 . . . . 25.0 109.357 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.44 -34.81 62.12 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.462 0.648 . . . . 25.0 112.303 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.372 0.669 . . . . 25.0 111.491 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -80.97 -38.86 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.399 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.6 mm? -52.01 -39.36 59.37 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.824 0.45 . . . . 25.0 111.921 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.9 -30.76 66.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.449 1.278 . . . . 25.0 114.449 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -68.28 -19.75 64.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.617 0.723 . . . . 25.0 111.275 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 121.021 0.439 . . . . 25.0 110.236 -179.777 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -74.89 124.07 26.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -162.05 178.22 9.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 -173.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -74.52 116.95 15.78 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.493 -1.299 . . . . 25.0 107.493 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 mt -119.97 136.33 54.58 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.45 164.61 36.37 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.987 -0.551 . . . . 25.0 110.541 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.14 -136.09 30.67 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 115.604 1.002 . . . . 25.0 115.604 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -62.65 -29.35 70.56 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.506 -0.409 . . . . 25.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.94 -37.16 83.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.64 -0.663 . . . . 25.0 110.774 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -45.29 85.51 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 174.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.79 -42.78 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -61.13 -42.23 98.16 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.901 -0.499 . . . . 25.0 109.953 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -36.06 82.49 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.509 0.506 . . . . 25.0 110.316 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -67.95 -42.53 80.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.86 -41.57 82.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.618 0.723 . . . . 25.0 110.732 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 16' ' ' LEU . 11.8 p -79.17 -35.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 25.0 112.457 -177.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 -22.97 1.63 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 117.701 2.482 . . . . 25.0 117.701 -173.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 109.935 -1.266 . . . . 25.0 109.935 -178.035 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.558 0.218 . . . . 25.0 111.515 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.35 -45.83 97.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.039 -0.413 . . . . 25.0 110.32 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -71.04 -28.83 64.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.383 -0.823 . . . . 25.0 111.075 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -76.04 -37.98 57.7 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.2 m -118.78 -34.94 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -80.61 -20.81 42.37 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -108.71 -50.19 3.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.934 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -112.97 -175.02 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.129 -0.357 . . . . 25.0 110.243 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mm -92.72 133.3 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -127.91 152.55 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.222 0.534 . . . . 25.0 109.921 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -118.76 162.17 18.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.121 -0.945 . . . . 25.0 109.01 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -52.6 -33.11 44.81 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -57.83 -46.2 85.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.474 -0.784 . . . . 25.0 111.166 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -73.78 -39.79 63.91 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.06 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.94 -36.66 60.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.959 0.355 . . . . 25.0 111.959 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.46 -31.24 67.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.731 1.011 . . . . 25.0 113.731 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.12 -16.07 63.57 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.899 -0.5 . . . . 25.0 110.793 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.252 179.471 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.239 0.524 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.09 125.32 28.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -166.55 176.54 7.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.13 131.28 41.15 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 173.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -135.47 141.73 45.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.92 168.57 25.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.6 -142.61 19.76 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.283 0.873 . . . . 25.0 115.283 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.69 -29.27 66.5 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.349 -0.425 . . . . 25.0 111.498 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -36.49 81.63 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 121.961 -0.462 . . . . 25.0 110.542 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -43.91 84.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 174.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.37 -41.91 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -60.58 -45.39 94.14 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 122.347 0.259 . . . . 25.0 111.232 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -46.63 89.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.441 -0.504 . . . . 25.0 111.088 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -36.14 82.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.088 0.471 . . . . 25.0 109.864 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -69.82 -41.77 74.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.667 -0.646 . . . . 25.0 111.411 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.36 -37.51 85.48 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.687 -0.633 . . . . 25.0 111.287 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.15 -37.84 17.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.106 -0.638 . . . . 25.0 112.29 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.0 t -124.86 -40.55 2.18 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 116.847 2.166 . . . . 25.0 116.847 -174.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.755 0 C-N-CA 120.015 -1.088 . . . . 25.0 113.552 -178.014 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 112.001 0.371 . . . . 25.0 112.001 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.65 -30.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.393 -0.817 . . . . 25.0 111.336 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -78.77 -17.77 55.25 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.5 -0.75 . . . . 25.0 111.359 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -96.81 -34.15 11.4 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -101.71 -33.55 9.82 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 115.329 1.603 . . . . 25.0 115.329 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -88.87 -49.69 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -68.16 -45.78 72.57 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -118.36 -174.07 2.59 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -96.09 137.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t -124.3 175.7 6.91 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -29.69 64.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -63.99 -44.73 91.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.778 0.799 . . . . 25.0 110.394 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -71.0 -41.51 70.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.1 -40.89 70.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.607 0.242 . . . . 25.0 111.632 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -29.52 68.83 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.945 0.72 . . . . 25.0 112.945 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -71.49 -17.26 62.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.928 -0.482 . . . . 25.0 110.808 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 178.45 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 CA--C 1.516 -0.334 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -75.05 127.72 33.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -164.04 179.75 6.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 -172.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -76.9 108.26 9.82 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 173.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.04 131.44 53.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.1 161.95 36.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.718 -0.673 . . . . 25.0 109.925 -176.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -137.14 15.19 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -61.34 -28.84 69.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.319 -0.44 . . . . 25.0 111.828 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -66.44 -37.59 85.52 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.684 -0.635 . . . . 25.0 110.225 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -44.76 85.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.41 -40.86 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 120.709 -0.396 . . . . 25.0 110.06 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.65 -44.76 93.42 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.152 -0.343 . . . . 25.0 110.796 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.77 98.25 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.267 -0.573 . . . . 25.0 110.447 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.52 84.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.797 0.332 . . . . 25.0 110.428 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.16 -44.06 85.15 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.008 -0.433 . . . . 25.0 111.181 175.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.78 -41.48 87.59 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.668 -0.645 . . . . 25.0 110.456 -176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.37 -33.43 15.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.4 -26.92 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 117.742 2.497 . . . . 25.0 117.742 -174.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.074 0 N-CA-C 110.243 -1.143 . . . . 25.0 110.243 178.206 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 tt . . . . . 0 C--O 1.222 -0.348 0 CA-C-O 121.559 0.695 . . . . 25.0 112.357 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -61.1 -42.87 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 O-C-N 121.438 -0.788 . . . . 25.0 111.396 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -79.75 -17.38 53.63 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.221 -0.924 . . . . 25.0 111.924 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -38.97 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.638 0.607 . . . . 25.0 112.638 177.292 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -106.99 -37.6 6.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 114.866 1.432 . . . . 25.0 114.866 -176.69 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -75.87 -54.29 7.13 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.875 -1.13 . . . . 25.0 108.172 179.088 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -70.45 -43.19 70.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.323 0.86 . . . . 25.0 113.323 -178.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -117.43 -174.87 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.65 -0.656 . . . . 25.0 111.928 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -93.45 132.43 37.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.92 -1.511 . . . . 25.0 106.92 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -134.7 161.86 33.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 176.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 m -125.78 174.9 8.0 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 121.191 0.519 . . . . 25.0 110.558 -177.52 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -29.94 66.39 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.173 0.511 . . . . 25.0 111.823 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.358 0.599 . . . . 25.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.99 -41.28 71.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.533 -0.914 . . . . 25.0 108.533 177.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.67 -33.05 69.7 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.94 -33.53 68.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 118.709 0.686 . . . . 25.0 112.529 175.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -70.19 -20.9 63.09 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.721 -0.612 . . . . 25.0 110.358 -178.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 120.944 0.402 . . . . 25.0 111.001 178.941 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 C--O 1.239 0.538 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.52 119.59 22.03 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 107.768 -1.197 . . . . 25.0 107.768 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -162.38 177.5 9.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.74 -1.948 . . . . 25.0 105.74 -175.275 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -70.27 129.07 38.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.876 -1.157 . . . . 25.0 107.876 175.051 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt -133.35 133.15 42.12 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 -175.375 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.12 164.17 35.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -176.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.54 -136.88 31.41 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 115.441 0.937 . . . . 25.0 115.441 175.136 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.8 p -60.9 -30.29 70.09 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.339 -0.506 . . . . 25.0 112.168 178.048 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -38.22 86.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.728 -0.608 . . . . 25.0 110.044 177.31 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -45.66 87.01 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.552 -0.294 . . . . 25.0 110.49 174.452 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.51 -44.21 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.13 -45.53 90.68 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 121.331 -0.855 . . . . 25.0 112.001 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.21 95.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.399 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -37.02 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.035 0.445 . . . . 25.0 110.582 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.52 -39.27 85.09 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 122.059 -0.401 . . . . 25.0 110.753 177.375 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.01 -41.45 82.18 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.163 -0.961 . . . . 25.0 110.157 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.95 -36.7 25.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.94 -34.96 2.73 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.58 2.067 . . . . 25.0 116.58 -174.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 C-N-CA 119.653 -1.261 . . . . 25.0 111.791 -179.198 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.98 -46.48 91.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 121.01 -0.276 . . . . 25.0 110.92 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.54 -25.24 53.9 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 120.799 -1.188 . . . . 25.0 110.928 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.67 -42.45 74.16 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.345 -0.222 . . . . 25.0 111.426 178.204 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -110.4 -39.43 4.94 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.983 1.846 . . . . 25.0 115.983 -174.518 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.59 -26.59 45.51 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 -176.655 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -100.23 -53.5 3.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.352 0.408 . . . . 25.0 111.104 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -106.93 -172.97 2.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.985 0.421 . . . . 25.0 111.16 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -89.92 138.58 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.244 -1.391 . . . . 25.0 107.244 177.452 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -132.61 150.75 52.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.368 0.604 . . . . 25.0 110.358 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.4 p -115.32 166.13 12.2 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.035 -0.53 . . . . 25.0 110.64 -175.129 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -55.4 -36.82 66.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.56 0.695 . . . . 25.0 111.54 178.136 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.42 -40.79 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.97 0.891 . . . . 25.0 110.791 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -79.76 -40.33 28.98 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.561 -0.712 . . . . 25.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.448 HD12 ' HG ' ' B' ' 15' ' ' LEU . 3.6 mm? -56.8 -34.73 67.95 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.728 0.411 . . . . 25.0 111.506 -178.285 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.44 -28.36 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 177.094 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -71.41 -13.15 61.75 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.18 0.514 . . . . 25.0 111.005 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 121.477 0.656 . . . . 25.0 110.257 178.843 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 C--O 1.235 0.322 0 N-CA-C 107.583 -1.266 . . . . 25.0 107.583 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -76.11 130.56 38.49 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -170.4 -178.37 2.7 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.05 -1.463 . . . . 25.0 107.05 -172.413 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -80.81 134.01 35.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.86 -1.533 . . . . 25.0 106.86 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mt -141.41 140.75 33.71 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -177.402 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t -154.16 167.85 28.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 119.306 -0.378 . . . . 25.0 110.153 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.07 -142.82 30.83 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-O 122.265 0.925 . . . . 25.0 113.377 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -62.21 -24.99 67.54 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.361 -0.494 . . . . 25.0 111.397 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -69.87 -33.93 72.9 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 120.835 -1.166 . . . . 25.0 110.085 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -43.37 82.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 173.257 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.77 -41.31 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 178.862 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.82 -41.93 99.51 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 121.956 0.102 . . . . 25.0 111.002 178.744 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.23 89.88 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.77 -0.581 . . . . 25.0 110.803 178.653 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.448 ' HG ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -61.25 -36.94 81.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.093 0.473 . . . . 25.0 109.938 177.335 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.93 -42.31 81.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.757 -0.589 . . . . 25.0 111.574 176.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 -39.7 89.98 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.303 -0.873 . . . . 25.0 110.714 -177.495 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.36 -33.43 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -179.49 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.53 -22.42 1.93 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 117.518 2.414 . . . . 25.0 117.518 -172.45 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.567 0 C-N-CA 119.771 -1.204 . . . . 25.0 111.582 176.77 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 tp . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 121.226 0.536 . . . . 25.0 112.304 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -69.83 -40.12 78.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.19 -3.21 41.46 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.57 0.581 . . . . 25.0 112.57 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -98.97 -54.32 3.02 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 171.075 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -84.11 -38.47 20.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 116.753 2.131 . . . . 25.0 116.753 -174.224 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.0 -13.24 53.77 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.41 -0.806 . . . . 25.0 109.212 -177.108 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 m -103.95 -45.03 4.87 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.361 0.601 . . . . 25.0 111.827 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -124.91 -172.82 2.66 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.334 -0.394 . . . . 25.0 110.377 -177.219 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.28 136.56 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.502 -1.666 . . . . 25.0 106.502 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -132.1 146.73 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.067 0.46 . . . . 25.0 110.434 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.8 m -113.13 160.82 17.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.044 -0.98 . . . . 25.0 109.13 -178.067 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -56.59 -31.45 64.27 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.73 -45.48 94.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.857 0.837 . . . . 25.0 110.372 179.111 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.21 -39.4 68.59 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.47 -37.57 65.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.17 -28.71 59.14 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 114.082 1.141 . . . . 25.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -70.21 -20.45 63.1 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.546 -178.273 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 CA--C 1.514 -0.426 0 CA-C-O 121.337 0.589 . . . . 25.0 110.81 -179.461 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.249 1.027 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -74.59 117.94 16.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.753 -0.832 . . . . 25.0 108.753 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -157.83 -179.78 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.934 -1.136 . . . . 25.0 107.934 -172.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -75.52 105.18 6.42 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.4 mt -103.26 137.52 41.29 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.61 165.53 34.03 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.862 0.363 . . . . 25.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.31 -140.3 28.53 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 115.709 1.043 . . . . 25.0 115.709 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -29.66 70.2 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.813 0.34 . . . . 25.0 111.462 179.568 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -65.91 -38.49 88.84 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.833 -0.542 . . . . 25.0 109.695 176.647 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -43.67 96.52 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 122.037 -0.414 . . . . 25.0 110.024 174.842 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.6 t -62.5 -41.78 93.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 119.675 -0.81 . . . . 25.0 110.632 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.06 -42.55 99.31 Favored 'General case' 0 C--O 1.208 -1.132 0 O-C-N 121.565 -0.709 . . . . 25.0 111.495 176.813 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.16 90.75 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.399 -179.124 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.87 -38.98 90.29 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.846 0.355 . . . . 25.0 111.631 177.218 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.25 -42.64 99.21 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.02 -0.425 . . . . 25.0 111.272 176.097 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -68.76 -39.74 80.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.841 -0.744 . . . . 25.0 110.852 -176.04 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -81.68 -33.61 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -125.61 -30.25 3.09 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.221 1.934 . . . . 25.0 116.221 -174.39 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.544 0 O-C-N 120.885 -1.134 . . . . 25.0 111.423 178.546 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 112.092 0.404 . . . . 25.0 112.092 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.27 -43.3 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 121.71 -0.619 . . . . 25.0 110.302 178.177 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -72.33 -20.66 61.45 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 121.773 -0.579 . . . . 25.0 111.905 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -91.42 -36.26 13.89 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.364 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.14 -36.6 6.52 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 115.374 1.62 . . . . 25.0 115.374 -176.073 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.5 m -80.31 -48.82 12.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 179.53 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m -72.68 -47.81 44.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.863 0.69 . . . . 25.0 112.863 -177.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -112.72 -178.92 3.51 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 121.806 -0.559 . . . . 25.0 110.941 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -86.99 131.1 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -130.18 160.64 33.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 25.0 109.808 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.2 p -129.38 170.65 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.951 -173.153 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -58.24 -33.04 68.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.103 0.477 . . . . 25.0 111.457 177.495 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 -42.83 99.29 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.079 -0.51 . . . . 25.0 110.737 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -69.1 -46.25 68.18 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.519 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 4.1 mp -56.42 -34.46 66.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -175.053 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.49 -33.64 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 25.0 111.719 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -71.21 -19.26 62.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.713 -0.617 . . . . 25.0 111.596 -178.427 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.451 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 94.5 m-85 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 178.318 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.239 0.518 0 N-CA-C 107.551 -1.278 . . . . 25.0 107.551 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -72.63 139.86 47.63 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.196 -1.039 . . . . 25.0 108.196 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.66 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 -172.552 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.93 97.22 6.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 171.212 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.48 134.97 34.19 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -149.31 161.97 40.99 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.804 -0.358 . . . . 25.0 111.067 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.96 -137.98 27.02 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.876 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -59.75 -32.26 70.41 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.465 -0.368 . . . . 25.0 111.247 179.381 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -63.47 -38.87 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.035 -0.415 . . . . 25.0 110.539 176.574 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -46.04 87.26 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.761 -0.459 . . . . 25.0 109.761 175.103 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.42 -41.72 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 120.27 -0.572 . . . . 25.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -61.44 -41.83 97.8 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.268 0.227 . . . . 25.0 110.591 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.83 97.34 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.016 -0.428 . . . . 25.0 110.55 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.13 -35.15 80.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.727 0.299 . . . . 25.0 110.856 177.606 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.44 -43.44 85.61 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.908 -0.495 . . . . 25.0 110.359 176.421 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -67.19 -40.53 86.53 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.697 -176.27 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -79.57 -35.03 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.976 -0.69 . . . . 25.0 112.71 -179.67 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.5 -32.46 1.52 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.831 2.53 . . . . 25.0 117.831 -176.234 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.371 0 C-N-CA 120.643 -0.789 . . . . 25.0 112.29 -177.976 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 tp . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.65 -46.67 85.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.107 -0.996 . . . . 25.0 109.146 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.35 -14.12 60.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.146 -0.479 . . . . 25.0 112.269 -175.626 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -99.09 -37.17 9.44 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 120.925 0.393 . . . . 25.0 111.465 176.714 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -109.36 -30.06 8.16 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 115.694 1.738 . . . . 25.0 115.694 -170.61 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.6 m -82.0 -49.58 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.502 -2.036 . . . . 25.0 105.502 174.587 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -70.93 -43.7 67.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -177.652 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.13 -178.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.833 -0.542 . . . . 25.0 111.083 -177.271 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -86.41 127.85 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -119.51 131.37 55.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.075 0.464 . . . . 25.0 110.656 -179.147 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -99.4 167.1 10.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 177.749 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pp -58.44 -32.48 68.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.778 0.323 . . . . 25.0 111.466 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.69 -39.19 90.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.565 0.698 . . . . 25.0 110.823 178.619 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -72.34 -42.66 65.11 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -31.33 69.85 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.448 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.5 -27.46 67.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.516 0.562 . . . . 25.0 112.516 176.365 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.91 -17.06 64.72 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.732 -0.605 . . . . 25.0 110.604 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.61 -177.307 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--O 1.239 0.527 0 CA-C-O 121.613 0.72 . . . . 25.0 109.417 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -78.24 120.51 23.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.799 -1.091 . . . . 25.0 108.155 175.594 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -163.18 -179.77 6.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.554 -2.017 . . . . 25.0 105.554 -174.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -73.69 124.47 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 172.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.2 mt -128.88 137.76 51.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.706 -1.591 . . . . 25.0 106.706 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.82 167.17 27.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.44 -178.239 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -136.69 30.99 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 178.258 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -61.28 -32.55 72.38 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.638 -0.281 . . . . 25.0 111.178 -179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -37.2 86.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.336 -0.545 . . . . 25.0 109.696 178.297 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -49.46 66.46 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.497 -0.481 . . . . 25.0 111.265 176.807 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.59 -30.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 119.252 -0.979 . . . . 25.0 109.766 -176.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.0 -46.23 88.64 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.693 -0.629 . . . . 25.0 110.677 172.023 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.12 97.74 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.362 -0.836 . . . . 25.0 109.406 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -34.97 79.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 179.52 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -68.46 -41.57 80.02 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 120.98 -0.288 . . . . 25.0 110.636 176.322 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.72 -39.84 91.6 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.577 -0.702 . . . . 25.0 110.934 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -84.33 -34.44 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -126.15 -32.34 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.845 1.794 . . . . 25.0 115.845 -172.169 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.354 -1.098 . . . . 25.0 110.354 178.611 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.239 0.54 0 CA-C-O 120.923 0.392 . . . . 25.0 109.953 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.88 -34.72 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 O-C-N 121.713 -0.617 . . . . 25.0 110.31 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.43 -20.98 53.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.301 0.572 . . . . 25.0 110.119 -178.61 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -88.32 -39.02 14.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.579 0.585 . . . . 25.0 112.579 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.2 m -105.63 -32.71 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.456 2.021 . . . . 25.0 116.456 -174.804 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.1 -52.84 7.3 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.227 -1.768 . . . . 25.0 106.227 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -67.04 -45.29 77.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.896 -1.047 . . . . 25.0 113.113 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -120.51 -176.03 3.14 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -174.069 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.6 mm -91.57 134.83 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 177.872 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.28 146.86 51.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 176.75 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -110.84 168.61 9.35 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.116 -0.947 . . . . 25.0 109.089 -177.165 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.31 -32.15 62.22 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.009 -0.542 . . . . 25.0 112.411 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.42 -43.32 99.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.954 0.353 . . . . 25.0 111.954 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -70.64 -43.8 68.46 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 177.692 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.488 ' HB3' HG11 ' B' ' 18' ' ' VAL . 3.3 mm? -52.33 -40.28 61.73 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -178.689 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.95 -32.41 67.79 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 25.0 112.648 179.317 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -69.02 -20.77 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.406 0.548 . . . . 25.0 111.403 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 CA--C 1.51 -0.593 0 CA-C-O 121.297 0.57 . . . . 25.0 110.691 179.229 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -74.74 122.09 22.74 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.926 0.766 . . . . 25.0 109.333 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -163.6 173.46 12.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 -173.263 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -71.66 131.52 43.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 174.635 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -136.72 137.6 40.12 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 -176.781 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 163.08 38.17 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 -177.902 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.35 -136.51 11.84 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 116.865 1.506 . . . . 25.0 116.865 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -27.67 68.75 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 122.199 -0.589 . . . . 25.0 112.379 179.339 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -67.53 -37.74 83.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.596 -0.69 . . . . 25.0 109.433 176.8 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -44.06 90.35 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -36.64 78.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 120.86 -0.336 . . . . 25.0 111.037 -179.142 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.04 -43.9 97.85 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 175.083 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.73 94.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.828 178.706 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.05 -35.46 80.31 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.302 0.572 . . . . 25.0 109.913 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -68.66 -41.34 79.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.953 177.181 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.43 75.46 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.751 -0.593 . . . . 25.0 111.118 -177.78 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 16' ' ' LEU . 13.9 p -79.69 -32.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 113.445 0.906 . . . . 25.0 113.445 -178.348 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.89 -26.4 1.19 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.061 2.245 . . . . 25.0 117.061 -177.403 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -1.172 0 C-N-CA 119.952 -1.118 . . . . 25.0 111.538 179.062 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.464 0.227 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.94 -45.66 83.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 O-C-N 121.495 -0.753 . . . . 25.0 109.97 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -68.29 -32.07 71.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.693 0.758 . . . . 25.0 111.82 -179.073 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -75.38 -44.09 46.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.768 -0.651 . . . . 25.0 110.944 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -108.16 -41.58 4.87 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 116.668 2.099 . . . . 25.0 116.668 -172.623 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.94 -45.49 57.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 -178.771 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -80.57 -46.47 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.435 -0.802 . . . . 25.0 112.218 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -114.7 178.79 4.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -174.942 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.3 mm -84.42 130.55 35.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 178.27 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -127.88 150.81 49.7 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.444 0.64 . . . . 25.0 109.601 175.843 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -112.64 168.66 9.48 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.255 -0.884 . . . . 25.0 110.721 -174.816 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -29.29 70.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.763 0.316 . . . . 25.0 110.957 -179.16 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.97 -44.08 93.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.74 0.781 . . . . 25.0 111.327 178.562 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -68.81 -43.44 75.59 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.788 -0.57 . . . . 25.0 110.195 176.02 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.443 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.7 mm? -55.58 -36.78 67.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.2 -30.54 70.48 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.63 -0.669 . . . . 25.0 112.304 177.585 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -73.25 -13.65 61.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.869 -0.519 . . . . 25.0 110.519 -177.217 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 N--CA 1.467 0.396 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.044 177.94 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -73.45 132.93 43.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.988 -1.116 . . . . 25.0 107.988 -177.733 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -166.11 -178.53 4.68 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 -173.832 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.99 136.64 36.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 170.955 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 mt -138.39 141.89 39.61 Favored 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 -178.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.33 165.11 36.8 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.76 -132.41 22.58 Favored Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.72 1.048 . . . . 25.0 115.72 177.828 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -62.81 -30.61 71.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.041 -0.579 . . . . 25.0 111.692 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -70.6 -33.59 71.21 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.161 -0.962 . . . . 25.0 109.594 177.56 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -46.33 79.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 121.014 -0.274 . . . . 25.0 110.296 175.853 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.73 -28.52 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 118.603 -1.239 . . . . 25.0 110.666 -178.625 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -65.59 -40.72 93.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.476 -0.329 . . . . 25.0 110.731 172.936 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.0 93.0 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.589 -0.694 . . . . 25.0 110.272 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.23 -38.36 79.8 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.33 177.402 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -67.02 -44.79 79.4 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.935 -0.478 . . . . 25.0 111.27 177.675 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.16 -38.17 85.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.921 -0.487 . . . . 25.0 111.104 -176.027 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 16' ' ' LEU . 9.5 p -82.51 -33.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 114.102 1.149 . . . . 25.0 114.102 -179.867 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -125.33 -40.09 2.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.714 2.116 . . . . 25.0 116.714 -177.685 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.068 0 C-N-CA 120.702 -0.761 . . . . 25.0 114.365 -176.79 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 112.683 0.623 . . . . 25.0 112.683 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.1 -42.71 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 O-C-N 120.899 -1.125 . . . . 25.0 111.123 -177.546 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -70.0 -27.57 64.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.369 0.605 . . . . 25.0 110.141 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -84.3 -35.02 23.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -109.09 -36.9 5.94 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 116.531 2.048 . . . . 25.0 116.531 -177.53 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 t -81.88 -24.23 35.86 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.792 -1.192 . . . . 25.0 108.93 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -104.72 -48.25 3.83 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.743 -0.662 . . . . 25.0 112.275 177.761 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -108.17 -177.6 3.37 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.775 0.798 . . . . 25.0 111.615 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.88 137.1 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 105.519 -2.03 . . . . 25.0 105.519 174.287 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -135.11 153.44 52.01 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 174.381 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -119.58 171.52 8.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -34.69 63.68 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 123.619 0.575 . . . . 25.0 110.413 -178.552 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -59.67 -50.13 75.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.813 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -65.71 -43.31 89.49 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.92 -38.3 70.09 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -178.885 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.57 -24.56 65.53 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 176.902 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.11 -17.83 64.96 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.071 0.85 . . . . 25.0 110.382 175.676 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 N--CA 1.451 -0.419 0 C-N-CA 123.835 0.854 . . . . 25.0 110.737 179.507 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.252 1.217 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -81.0 128.38 33.63 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.705 -0.68 . . . . 25.0 110.6 -176.569 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -164.8 176.57 8.64 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 -174.499 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.35 136.66 38.47 Favored 'General case' 0 C--O 1.192 -1.928 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 173.276 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -137.8 139.91 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 -177.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -150.96 168.05 25.73 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 179.614 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.3 -139.29 30.44 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -63.1 -27.58 69.49 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 122.13 -0.63 . . . . 25.0 112.415 178.855 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -69.83 -33.09 71.84 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.292 0.496 . . . . 25.0 109.863 176.833 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -44.64 80.12 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 107.674 -1.232 . . . . 25.0 107.674 174.583 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.1 -42.6 90.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 120.304 -0.558 . . . . 25.0 110.207 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.37 -46.06 83.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 176.224 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.07 96.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.181 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.37 -37.49 85.92 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.303 0.377 . . . . 25.0 111.989 177.023 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -64.06 -45.63 87.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.875 -0.148 . . . . 25.0 110.884 174.621 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.04 -38.02 87.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.754 -0.591 . . . . 25.0 111.304 -175.627 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.65 -35.86 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.19 -29.41 2.75 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.573 1.694 . . . . 25.0 115.573 -175.267 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.597 0 C-N-CA 120.702 -0.761 . . . . 25.0 111.281 175.794 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tp . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 112.567 0.58 . . . . 25.0 112.567 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.52 -44.31 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 121.015 -1.053 . . . . 25.0 109.194 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -64.03 -32.03 73.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.693 -0.685 . . . . 25.0 110.647 -178.107 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -85.01 -40.57 16.72 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.519 0.933 . . . . 25.0 113.519 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.3 m -102.44 -39.15 7.26 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.777 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.7 m -78.25 -53.61 7.14 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 -178.762 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -71.5 -44.24 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.539 -179.084 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -116.49 -175.33 2.73 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.131 -0.355 . . . . 25.0 111.414 -176.443 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -89.08 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.028 -1.471 . . . . 25.0 107.028 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -133.33 152.75 51.94 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.245 0.831 . . . . 25.0 113.245 174.154 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -118.28 168.17 10.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.011 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -60.8 -32.44 71.8 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.003 -0.436 . . . . 25.0 111.939 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -61.43 -43.24 99.21 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 121.805 0.812 . . . . 25.0 110.077 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -71.06 -43.22 68.23 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.929 -0.482 . . . . 25.0 109.748 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 5.8 mt -56.11 -37.05 68.89 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -179.47 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.72 -31.86 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.673 -0.642 . . . . 25.0 112.695 175.315 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.65 -18.9 62.16 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.603 -1.311 . . . . 25.0 110.653 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 99.5 m-85 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 121.908 0.861 . . . . 25.0 110.689 177.226 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.238 0.499 0 N-CA-C 107.153 -1.425 . . . . 25.0 107.153 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -77.01 131.13 38.29 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -166.95 -178.54 4.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 -174.943 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -78.15 135.62 37.69 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 172.661 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.4 mt -139.55 145.32 38.5 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -153.37 169.36 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.98 -143.89 13.64 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 122.255 0.919 . . . . 25.0 114.958 179.463 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.26 -26.57 65.03 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -38.66 87.85 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.086 0.469 . . . . 25.0 110.488 176.049 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -45.39 85.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 25.0 108.879 175.411 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.35 -41.8 88.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.979 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 179.209 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -60.76 -45.1 95.63 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 121.696 -0.627 . . . . 25.0 111.261 178.015 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.46 96.18 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.691 -0.404 . . . . 25.0 111.266 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -37.11 85.9 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.316 0.579 . . . . 25.0 109.727 178.53 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -65.64 -44.8 85.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 122.054 -0.404 . . . . 25.0 110.937 176.566 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.12 -40.81 95.0 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.171 -0.611 . . . . 25.0 111.05 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -75.43 -40.35 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 119.59 -0.844 . . . . 25.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.33 -23.04 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.08 2.622 . . . . 25.0 118.08 -171.709 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.716 0 N-CA-C 109.571 -1.411 . . . . 25.0 109.571 176.301 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.336 0.589 . . . . 25.0 111.59 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.52 -39.39 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 O-C-N 120.48 -1.388 . . . . 25.0 110.021 -175.513 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.87 2.5 14.43 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.605 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -115.79 -37.62 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.369 0.604 . . . . 25.0 111.982 174.889 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -98.14 -22.34 16.26 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t -98.93 -54.39 3.01 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 m -63.53 -35.3 80.04 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.193 -0.912 . . . . 25.0 111.914 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -127.93 -173.86 3.05 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.243 -0.91 . . . . 25.0 109.655 177.008 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 mm -91.75 137.73 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.18 165.09 26.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.165 -1.42 . . . . 25.0 107.165 172.242 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -126.55 173.7 9.23 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -176.948 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.56 -32.99 43.74 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 113.018 0.748 . . . . 25.0 113.018 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.16 -40.21 95.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.073 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.83 -45.87 48.64 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.496 -0.927 . . . . 25.0 108.496 178.73 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' HG ' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -54.04 -39.4 66.17 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -178.081 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.62 -35.09 71.94 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 117.558 0.163 . . . . 25.0 111.066 179.074 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -69.34 -21.91 63.79 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.934 -1.103 . . . . 25.0 112.666 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 C--O 1.213 -0.817 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 178.961 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -73.87 127.24 32.33 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.001 -1.481 . . . . 25.0 107.001 175.448 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -167.35 -179.52 4.52 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 -171.052 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -77.84 128.11 33.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 173.104 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.14 137.14 46.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.8 161.32 38.4 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.783 -0.451 . . . . 25.0 109.783 -177.777 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.97 -135.2 16.39 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 116.173 1.229 . . . . 25.0 116.173 176.272 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -61.49 -29.03 69.72 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 118.476 -0.773 . . . . 25.0 111.711 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.45 -39.08 93.14 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.382 0.537 . . . . 25.0 109.571 175.215 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -44.0 94.46 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.807 -0.558 . . . . 25.0 110.49 175.35 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.15 -42.01 93.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.962 0 N-CA-C 109.573 -0.528 . . . . 25.0 109.573 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.13 -43.23 95.83 Favored 'General case' 0 C--O 1.195 -1.797 0 C-N-CA 120.734 -0.386 . . . . 25.0 110.947 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.54 93.45 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 122.02 -0.425 . . . . 25.0 110.616 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.461 ' HG ' HD12 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -62.65 -38.29 89.72 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.581 0.705 . . . . 25.0 111.193 178.396 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -68.09 -42.1 80.86 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.798 -0.564 . . . . 25.0 111.31 179.564 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.09 -38.47 78.98 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.03 -1.043 . . . . 25.0 111.115 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -81.33 -35.66 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 119.655 -0.818 . . . . 25.0 113.115 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 t -125.9 -34.75 2.56 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 -172.138 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.872 0 C-N-CA 120.135 -1.031 . . . . 25.0 112.804 -175.729 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 CA-C-O 122.784 1.213 . . . . 25.0 113.249 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp -51.74 -36.36 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 114.413 1.264 . . . . 25.0 114.413 -174.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.46 -45.61 81.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 121.528 -0.733 . . . . 25.0 109.975 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.6 -25.05 63.77 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.438 -0.346 . . . . 25.0 110.37 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -39.45 20.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.28 -36.02 5.7 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.416 2.006 . . . . 25.0 116.416 -173.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -75.82 -51.91 11.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.1 m -71.54 -48.66 47.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.128 1.159 . . . . 25.0 114.128 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -117.03 -177.43 3.2 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.973 -0.454 . . . . 25.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.11 134.44 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -132.87 166.48 22.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.9 t -137.9 170.86 15.32 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 -175.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -31.31 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.673 0.389 . . . . 25.0 111.372 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.01 -43.6 86.77 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.207 -0.451 . . . . 25.0 111.991 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -79.86 -37.83 34.05 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 121.028 -0.269 . . . . 25.0 110.814 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.97 -37.59 69.26 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 25.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.28 -26.03 68.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -71.67 -18.16 62.19 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.204 -0.935 . . . . 25.0 110.456 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -91.83 2.82 56.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.295 0.569 . . . . 25.0 109.75 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.1 t -105.71 -53.15 2.69 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.078 -1.452 . . . . 25.0 107.078 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 125.918 2.77 . . . . 25.0 113.763 177.413 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 122.78 1.276 . . . . 25.0 114.427 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.93 144.77 32.51 Favored 'Isoleucine or valine' 0 C--N 1.345 0.386 0 N-CA-C 107.327 -1.361 . . . . 25.0 107.327 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -77.7 125.73 29.78 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.425 -0.807 . . . . 25.0 110.1 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -164.52 177.64 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 -175.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.49 134.89 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 173.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 mt -138.34 138.64 38.51 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.85 166.11 31.54 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.232 -0.655 . . . . 25.0 109.232 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.39 -135.79 22.83 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 115.559 0.983 . . . . 25.0 115.559 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -62.41 -29.97 70.88 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.439 -0.448 . . . . 25.0 111.26 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -66.89 -37.06 83.67 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.12 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -46.31 85.47 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.122 174.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.45 -41.73 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 120.884 0.373 . . . . 25.0 110.001 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.15 -44.23 87.79 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.81 0.444 . . . . 25.0 111.776 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.31 94.99 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.14 -0.624 . . . . 25.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -37.85 87.86 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.467 0.48 . . . . 25.0 109.77 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.04 -44.43 84.61 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.97 -0.292 . . . . 25.0 111.545 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 mt -65.81 -40.52 91.94 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.618 -0.433 . . . . 25.0 110.948 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 119.785 -0.766 . . . . 25.0 112.473 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.48 -24.81 1.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 117.127 2.269 . . . . 25.0 117.127 -172.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.5 -33.19 86.57 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 119.331 -1.414 . . . . 25.0 110.816 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.66 -3.15 23.18 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.397 0.888 . . . . 25.0 113.397 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.77 0.83 36.51 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 174.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.75 1.88 82.3 Favored Glycine 0 C--O 1.222 -0.602 0 CA-C-N 116.145 -0.48 . . . . 25.0 113.424 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.04 79.98 0.78 Allowed Glycine 0 C--O 1.224 -0.484 0 N-CA-C 109.879 -1.288 . . . . 25.0 109.879 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.17 152.28 39.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -109.49 -1.31 18.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.148 -0.933 . . . . 25.0 111.3 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -78.64 68.56 8.07 Favored 'Trans proline' 0 C--N 1.396 3.079 0 C-N-CA 122.296 1.997 . . . . 25.0 113.379 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.21 -1.001 0 CA-C-O 125.211 2.434 . . . . 25.0 111.379 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.45 0 CA-C-O 123.009 1.338 . . . . 25.0 116.127 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.449 HD13 ' CD2' ' A' ' 19' ' ' TYR . 4.6 tp -50.2 -39.06 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 121.16 -1.2 . . . . 25.0 113.213 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.05 -43.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.545 -0.722 . . . . 25.0 110.32 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -74.84 -16.8 60.68 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.601 -0.687 . . . . 25.0 112.155 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -30.52 15.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -109.04 -41.82 4.6 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.614 1.339 . . . . 25.0 114.614 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -79.66 -26.33 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -101.09 -46.34 5.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.795 -0.638 . . . . 25.0 112.562 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -112.3 -177.12 3.08 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.893 -0.505 . . . . 25.0 110.293 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.7 mm -88.08 133.49 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.043 -1.466 . . . . 25.0 107.043 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.84 161.95 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -132.34 175.25 9.44 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.525 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.43 -50.36 73.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.786 -0.643 . . . . 25.0 111.375 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -68.8 -41.44 78.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 4.1 mp -55.99 -35.69 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.406 1.261 . . . . 25.0 114.406 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.1 -32.98 71.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.764 -0.374 . . . . 25.0 111.828 176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.6 -15.74 61.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.928 -0.483 . . . . 25.0 110.997 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CD2' HD13 ' A' ' 2' ' ' ILE . 49.0 m-85 -96.92 1.73 50.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 25.0 110.512 176.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -99.6 -41.3 7.4 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.379 0.609 . . . . 25.0 110.439 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 122.904 1.335 . . . . 25.0 111.562 -179.153 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 123.409 1.576 . . . . 25.0 113.916 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.63 139.66 36.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.007 -1.108 . . . . 25.0 108.007 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -75.94 133.43 40.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.462 -1.311 . . . . 25.0 107.462 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -167.29 -179.29 4.44 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -81.23 134.37 35.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -135.29 139.84 44.68 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -151.0 163.02 39.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.34 -138.85 21.9 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.022 1.169 . . . . 25.0 116.022 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.49 -31.32 69.24 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.21 -0.495 . . . . 25.0 111.801 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -65.97 -36.53 83.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.527 -0.733 . . . . 25.0 110.611 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -44.48 86.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.4 -44.4 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 120.952 -0.299 . . . . 25.0 110.231 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -59.43 -43.08 93.17 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.665 -0.243 . . . . 25.0 111.245 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.18 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.796 -0.565 . . . . 25.0 111.176 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.48 -37.12 86.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.245 0.545 . . . . 25.0 111.087 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -66.21 -40.92 90.69 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.094 -0.379 . . . . 25.0 111.268 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 mt -68.57 -38.82 81.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.772 -0.58 . . . . 25.0 111.012 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.23 -38.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -123.16 -29.98 3.8 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 116.842 2.164 . . . . 25.0 116.842 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.42 -28.0 73.47 Favored Glycine 0 C--O 1.215 -1.032 0 N-CA-C 110.602 -0.999 . . . . 25.0 110.602 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.74 21.11 2.31 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.119 0.485 . . . . 25.0 110.793 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -139.83 -43.72 0.43 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.11 -133.1 5.57 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.43 -25.04 5.12 Favored Glycine 0 N--CA 1.462 0.396 0 N-CA-C 115.688 1.035 . . . . 25.0 115.688 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.2 t80 63.5 177.32 0.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.919 0.887 . . . . 25.0 112.284 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -122.58 -2.15 8.94 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.295 0.569 . . . . 25.0 110.755 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.0 80.69 2.98 Favored 'Trans proline' 0 C--N 1.395 2.977 0 C-N-CA 122.053 1.836 . . . . 25.0 112.264 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.485 1.325 0 CA-C-N 113.608 -1.633 . . . . 25.0 111.166 -177.068 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.192 -2.514 0 CA-C-O 121.705 0.614 . . . . 25.0 114.149 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tp -169.25 -42.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.364 0.666 . . . . 25.0 110.811 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.3 t -56.57 -47.93 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -176.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.26 2.25 13.78 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.115 -0.99 . . . . 25.0 113.327 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -116.35 -24.98 7.68 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 m -111.71 -33.42 6.34 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.83 -49.41 12.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.7 m -75.87 -39.3 56.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -176.57 3.02 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.937 -0.477 . . . . 25.0 111.7 -177.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -96.31 132.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.01 153.99 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -115.32 175.55 5.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -32.45 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.545 0.528 . . . . 25.0 112.107 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.48 -43.96 97.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.456 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -69.56 -44.18 71.42 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 107.892 -1.151 . . . . 25.0 107.892 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.38 -39.53 60.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.66 -35.88 71.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -71.29 -18.84 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.119 -0.363 . . . . 25.0 111.063 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -87.02 -8.65 56.94 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.9 t -87.86 -47.05 8.89 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.013 -1.477 . . . . 25.0 107.013 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t30 . . . . . 0 CA--C 1.554 1.108 0 CA-C-N 113.564 -1.653 . . . . 25.0 112.671 177.36 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 123.45 1.595 . . . . 25.0 114.49 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.4 t -124.37 136.08 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 107.225 -1.398 . . . . 25.0 107.225 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -68.41 122.31 18.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -162.34 178.17 8.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.492 -1.299 . . . . 25.0 107.492 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -74.93 109.87 8.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -111.42 136.18 50.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 107.064 -1.458 . . . . 25.0 107.064 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -151.93 164.09 37.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.249 -0.432 . . . . 25.0 110.01 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.26 -135.15 32.37 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.481 0.952 . . . . 25.0 115.481 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -60.23 -31.73 70.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.836 -0.682 . . . . 25.0 110.289 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -69.52 -34.77 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.749 -0.594 . . . . 25.0 110.774 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.29 92.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 174.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.12 -43.88 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.71 -42.07 92.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.15 -0.344 . . . . 25.0 111.777 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.82 82.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.687 -0.405 . . . . 25.0 110.443 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -35.64 79.81 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.212 0.53 . . . . 25.0 109.711 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.65 -42.61 77.71 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.75 -38.52 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.711 -0.618 . . . . 25.0 111.927 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -82.59 -32.84 10.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -126.08 -35.38 2.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 114.452 1.278 . . . . 25.0 114.452 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -62.12 -38.38 96.03 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 119.839 -1.172 . . . . 25.0 112.674 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -82.21 7.57 13.34 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.469 -0.43 . . . . 25.0 111.394 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -109.51 -42.97 4.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.112 0.482 . . . . 25.0 110.819 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.42 137.73 3.55 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.518 -1.033 . . . . 25.0 110.518 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.94 20.76 13.25 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 116.53 1.372 . . . . 25.0 116.53 175.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.439 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 0.8 OUTLIER -78.18 158.25 29.09 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.902 -0.764 . . . . 25.0 112.02 178.612 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -116.88 -3.93 11.61 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.954 0.784 . . . . 25.0 112.554 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.2 85.3 1.88 Allowed 'Trans proline' 0 C--N 1.396 3.054 0 C-N-CA 122.161 1.907 . . . . 25.0 112.049 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 125.471 2.558 . . . . 25.0 110.797 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 CA-C-O 122.225 0.903 . . . . 25.0 114.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.477 HD11 HD22 ' B' ' 11' ' ' LEU . 20.3 tt -56.88 -31.54 36.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 O-C-N 121.873 -0.781 . . . . 25.0 112.885 -178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.17 -48.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 121.211 -0.931 . . . . 25.0 109.302 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -66.23 -32.56 74.06 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.814 -0.554 . . . . 25.0 111.85 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -79.98 -38.61 31.85 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 114.038 1.125 . . . . 25.0 114.038 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -107.21 -42.02 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.984 1.476 . . . . 25.0 114.984 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.0 m -74.6 -56.26 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -73.24 -45.84 53.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.329 -0.85 . . . . 25.0 112.702 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -113.55 -172.5 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.62 131.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -129.63 161.78 29.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -120.53 167.98 11.83 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 -177.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.62 -31.91 62.68 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.02 -0.536 . . . . 25.0 111.699 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.254 0.55 . . . . 25.0 110.455 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.83 -39.91 66.19 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mp -57.11 -36.12 70.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.06 -30.91 71.31 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.835 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -71.92 -13.95 61.79 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.788 -0.57 . . . . 25.0 110.213 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -102.3 6.27 40.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.434 . . . . 25.0 110.583 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -70.22 -43.05 71.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.605 0.716 . . . . 25.0 110.965 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.4 t30 . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 124.736 2.207 . . . . 25.0 111.368 179.383 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.8 t80 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 123.294 1.521 . . . . 25.0 115.004 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t -111.33 133.28 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 O-C-N 121.056 -1.027 . . . . 25.0 109.191 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -70.3 126.49 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -164.76 174.49 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -173.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -74.12 131.21 41.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -137.54 140.97 41.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.11 167.69 28.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.332 -0.147 . . . . 25.0 110.651 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.29 -139.92 29.17 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 114.581 0.592 . . . . 25.0 114.581 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -28.22 68.87 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.463 -0.434 . . . . 25.0 111.925 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.65 -37.02 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.623 -0.673 . . . . 25.0 110.485 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.477 HD22 HD11 ' A' ' 2' ' ' ILE . 0.7 OUTLIER -63.96 -44.75 91.85 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 172.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.1 t -60.32 -43.23 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -61.99 -43.74 98.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 122.043 -0.411 . . . . 25.0 110.59 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.29 99.72 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -35.2 80.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 25.0 110.714 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.16 -42.47 84.24 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.123 -0.361 . . . . 25.0 111.101 175.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.79 -41.19 88.02 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.41 -0.806 . . . . 25.0 110.454 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.61 -32.53 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -122.94 -42.94 2.26 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.101 1.519 . . . . 25.0 115.101 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.24 -42.23 97.15 Favored Glycine 0 C--O 1.221 -0.707 0 C-N-CA 120.587 -0.816 . . . . 25.0 113.192 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -71.46 -21.93 61.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -83.04 -39.53 21.11 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.362 0.601 . . . . 25.0 110.958 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.48 95.46 0.38 Allowed Glycine 0 C--O 1.223 -0.537 0 CA-C-N 113.989 -1.459 . . . . 25.0 110.759 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.11 112.14 1.12 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 121.412 -0.423 . . . . 25.0 112.605 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -156.94 156.24 32.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -110.14 -2.55 16.85 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 123.35 0.406 . . . . 25.0 111.785 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.73 79.64 3.29 Favored 'Trans proline' 0 C--N 1.399 3.195 0 C-N-CA 121.941 1.761 . . . . 25.0 112.875 178.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 64.7 p . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 124.871 2.272 . . . . 25.0 110.342 179.762 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.767 0 CA-C-O 123.084 1.38 . . . . 25.0 115.8 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.406 HD13 ' CD2' ' A' ' 19' ' ' TYR . 6.6 tp -53.92 -35.46 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.633 -0.922 . . . . 25.0 112.734 -177.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.45 -45.19 89.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.851 -0.53 . . . . 25.0 110.665 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -74.98 -30.67 61.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.635 0.731 . . . . 25.0 110.543 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.01 -40.37 65.25 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.827 -0.546 . . . . 25.0 112.404 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.4 m -105.85 -39.41 6.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.824 1.787 . . . . 25.0 115.824 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -80.7 -53.78 6.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.8 m -70.21 -45.52 66.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.269 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -116.35 -175.61 2.79 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 122.042 -0.411 . . . . 25.0 111.603 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -88.71 138.66 18.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.93 159.3 42.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.305 0.574 . . . . 25.0 111.501 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -122.85 164.61 18.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.044 -0.98 . . . . 25.0 109.341 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.24 -30.95 66.94 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.85 -0.614 . . . . 25.0 111.252 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -60.43 -42.6 96.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.71 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -75.92 -38.6 57.51 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 2.4 mp -54.83 -39.21 68.31 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.68 -31.35 68.13 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.999 -0.68 . . . . 25.0 111.991 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.27 -20.07 62.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.314 -0.866 . . . . 25.0 111.036 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 83.2 m-85 -89.51 -4.24 58.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.735 0.303 . . . . 25.0 110.322 176.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -98.65 -15.19 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.245 1.021 . . . . 25.0 109.489 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 . . . . . 0 C--O 1.21 -1.017 0 CA-C-O 124.77 2.224 . . . . 25.0 111.669 -178.57 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 123.376 1.56 . . . . 25.0 114.722 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -118.47 146.24 23.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 106.771 -1.566 . . . . 25.0 106.771 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -72.74 132.78 44.08 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -165.79 -179.11 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -173.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.45 133.68 35.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 171.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.46 137.04 39.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.48 162.24 39.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.64 -136.64 17.97 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.969 1.148 . . . . 25.0 115.969 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.8 p -60.63 -30.23 69.74 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.463 -0.434 . . . . 25.0 111.97 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -66.79 -35.93 81.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.964 -0.46 . . . . 25.0 110.463 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -44.13 82.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.702 -0.481 . . . . 25.0 109.702 174.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.9 t -61.7 -40.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -61.14 -44.01 97.99 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 122.078 -0.389 . . . . 25.0 110.645 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.18 99.45 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.224 -0.59 . . . . 25.0 111.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.64 -37.65 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.708 0.289 . . . . 25.0 111.14 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -65.09 -41.62 94.82 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.989 -0.445 . . . . 25.0 110.474 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.49 -41.66 88.6 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.858 -0.526 . . . . 25.0 110.414 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.61 -36.82 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -114.84 -39.19 3.76 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 116.348 1.981 . . . . 25.0 116.348 -172.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.79 94.44 Favored Glycine 0 CA--C 1.518 0.232 0 N-CA-C 110.836 -0.906 . . . . 25.0 110.836 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.95 -8.12 46.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.507 0.323 . . . . 25.0 111.531 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -5.33 24.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.024 0.44 . . . . 25.0 110.969 -177.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.94 83.0 1.03 Allowed Glycine 0 C--N 1.321 -0.301 0 C-N-CA 120.814 -0.707 . . . . 25.0 111.728 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.64 -128.58 1.41 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 105.657 -2.977 . . . . 25.0 105.657 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 t80 65.48 165.73 0.18 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.915 1.286 . . . . 25.0 113.25 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -113.96 -2.18 13.62 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 120.883 0.373 . . . . 25.0 111.952 -173.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -77.69 81.54 2.64 Favored 'Trans proline' 0 C--N 1.397 3.115 0 C-N-CA 121.817 1.678 . . . . 25.0 112.625 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.209 -1.069 0 CA-C-O 124.01 1.862 . . . . 25.0 114.002 178.116 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 116.332 1.293 . . . . 25.0 116.332 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.497 HD11 HD22 ' B' ' 11' ' ' LEU . 18.3 tt -48.51 -34.58 5.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -177.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -63.98 -44.67 97.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.193 -0.942 . . . . 25.0 109.912 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.68 -12.57 59.81 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.07 -1.019 . . . . 25.0 112.263 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.11 -28.56 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.6 m -114.25 -40.42 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.604 0.965 . . . . 25.0 113.604 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.03 -52.61 12.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -73.41 -43.87 59.59 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -118.13 -178.28 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.691 -0.631 . . . . 25.0 110.246 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -91.13 132.92 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -133.47 158.62 42.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -121.66 173.65 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.187 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.29 -27.7 56.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.015 0.436 . . . . 25.0 111.831 176.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.63 -47.58 85.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.607 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -72.4 -39.87 67.62 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB3' HG11 ' B' ' 18' ' ' VAL . 5.9 mp -60.1 -33.24 71.83 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.438 0.903 . . . . 25.0 113.438 -176.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.72 -33.12 71.21 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.479 -0.888 . . . . 25.0 111.285 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.76 -13.96 60.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.69 -0.631 . . . . 25.0 110.671 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 21.1 m-85 -90.2 5.67 46.03 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.4 t -118.76 -42.0 2.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.888 0.852 . . . . 25.0 109.164 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t30 . . . . . 0 C--O 1.208 -1.097 0 CA-C-O 124.606 2.146 . . . . 25.0 110.447 175.883 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.7 t80 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 123.176 1.465 . . . . 25.0 114.51 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -128.87 139.5 51.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 120.718 -1.239 . . . . 25.0 109.119 174.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.39 127.82 33.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.385 -0.825 . . . . 25.0 110.269 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -163.93 176.61 9.26 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.854 -1.535 . . . . 25.0 106.854 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -73.72 132.32 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.7 mt -135.29 139.6 44.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.24 162.46 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -177.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.0 -137.93 16.73 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 115.529 0.972 . . . . 25.0 115.529 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -27.96 67.06 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -38.05 82.83 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.55 -0.719 . . . . 25.0 109.726 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 2' ' ' ILE . 0.6 OUTLIER -63.77 -44.78 92.4 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 174.697 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.73 -42.23 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.488 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -60.22 -45.63 92.54 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.331 -0.148 . . . . 25.0 110.616 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.74 98.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.526 -0.47 . . . . 25.0 110.766 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.33 -36.15 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 25.0 111.268 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.82 -40.58 88.07 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.171 -0.33 . . . . 25.0 110.672 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.8 mt -67.57 -41.49 84.09 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.546 -0.721 . . . . 25.0 110.157 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.425 HG11 ' HB3' ' A' ' 16' ' ' LEU . 12.9 p -79.84 -33.13 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -122.04 -32.86 3.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.435 2.383 . . . . 25.0 117.435 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.82 -44.26 80.65 Favored Glycine 0 C--O 1.222 -0.645 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -72.08 -15.51 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.411 0.625 . . . . 25.0 111.412 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -79.32 -20.31 48.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.561 -0.745 . . . . 25.0 111.002 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.36 19.42 9.38 Favored Glycine 0 C--O 1.226 -0.362 0 CA-C-N 115.519 -0.764 . . . . 25.0 114.306 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.92 -130.53 3.87 Favored Glycine 0 C--O 1.23 -0.15 0 N-CA-C 109.872 -1.291 . . . . 25.0 109.872 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 t80 68.85 168.54 0.28 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.522 1.129 . . . . 25.0 114.025 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -117.41 -12.51 10.43 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -79.61 80.31 3.11 Favored 'Trans proline' 0 C--N 1.398 3.141 0 C-N-CA 122.082 1.855 . . . . 25.0 112.449 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.491 1.614 0 C-N-CA 128.427 2.691 . . . . 25.0 115.859 -179.151 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.759 0 CA-C-O 122.756 1.198 . . . . 25.0 114.073 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tp -164.62 -37.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 114.495 -0.853 . . . . 25.0 111.214 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.38 -48.59 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.112 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -79.69 13.33 2.14 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -114.92 -45.55 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 25.0 109.991 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 m -93.83 -35.82 12.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.5 -26.75 38.0 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.4 m -96.81 -42.92 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.091 0.774 . . . . 25.0 113.091 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -115.81 -177.01 3.06 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.167 -0.333 . . . . 25.0 110.327 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.21 130.13 39.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -128.89 152.49 48.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.771 0.32 . . . . 25.0 110.352 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -121.19 168.73 11.27 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.56 -33.71 64.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.546 0.689 . . . . 25.0 112.064 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -57.89 -44.19 86.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 25.0 111.031 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -74.96 -41.12 60.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.6 mm? -52.52 -39.14 61.01 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.139 0.576 . . . . 25.0 111.478 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.77 -31.89 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.817 1.043 . . . . 25.0 113.817 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.17 -19.7 64.0 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.309 -0.869 . . . . 25.0 111.026 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -87.43 -3.47 59.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.945 0.402 . . . . 25.0 109.935 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.7 m -84.2 -7.13 59.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.193 0.997 . . . . 25.0 109.991 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 . . . . . 0 C--O 1.21 -0.997 0 CA-C-O 125.172 2.415 . . . . 25.0 110.715 177.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 123.291 1.52 . . . . 25.0 114.846 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 p -126.69 142.76 42.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 173.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -76.06 130.56 38.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.579 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -166.13 -179.66 5.24 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -80.27 79.67 6.81 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.401 0.438 . . . . 25.0 111.241 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -77.13 133.64 38.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 25.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -144.92 162.45 36.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.278 -0.419 . . . . 25.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.44 -136.34 27.07 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -30.26 69.82 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.341 -0.505 . . . . 25.0 111.262 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.44 87.19 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.938 -0.476 . . . . 25.0 109.741 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -43.44 94.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -41.91 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.901 -0.319 . . . . 25.0 110.357 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.25 -41.61 97.21 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 122.26 -0.275 . . . . 25.0 110.625 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.1 -46.2 88.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.43 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.95 -39.0 87.85 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.904 0.383 . . . . 25.0 110.111 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -65.4 -44.03 88.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.663 -0.244 . . . . 25.0 111.223 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.07 -39.62 78.99 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.1 -0.64 . . . . 25.0 111.826 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.484 HG11 ' HB3' ' A' ' 16' ' ' LEU . 11.7 p -79.49 -34.75 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 m -129.97 -35.86 1.6 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 115.196 1.554 . . . . 25.0 115.196 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.02 -26.72 67.73 Favored Glycine 0 C--O 1.218 -0.871 0 C-N-CA 120.485 -0.864 . . . . 25.0 112.211 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.81 11.94 10.14 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.726 0.639 . . . . 25.0 112.726 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.79 -42.32 0.59 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.125 0.787 . . . . 25.0 113.125 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.67 131.77 2.53 Favored Glycine 0 C--O 1.223 -0.58 0 N-CA-C 107.32 -2.312 . . . . 25.0 107.32 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.98 74.26 0.74 Allowed Glycine 0 N--CA 1.462 0.379 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -148.54 138.02 21.99 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.658 -1.608 . . . . 25.0 106.658 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -109.31 -2.5 17.81 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.498 0.555 . . . . 25.0 112.498 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.75 83.57 1.91 Allowed 'Trans proline' 0 C--N 1.395 2.996 0 C-N-CA 121.852 1.702 . . . . 25.0 112.829 174.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.032 0 C-N-CA 127.574 2.35 . . . . 25.0 110.711 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.459 0 CA-C-O 123.298 1.499 . . . . 25.0 114.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.7 tt -57.31 -32.71 41.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 121.8 -0.824 . . . . 25.0 112.054 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.84 -49.91 79.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.563 -0.71 . . . . 25.0 109.39 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.74 -26.18 61.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -87.52 -24.63 24.01 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.7 t -119.83 -40.63 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 t -78.18 -55.24 5.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -72.25 -42.69 65.37 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 m -112.71 -176.75 2.98 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.032 -0.417 . . . . 25.0 111.659 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.05 122.88 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -107.99 156.36 19.31 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.385 0.612 . . . . 25.0 110.36 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -123.87 159.42 29.67 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.114 -1.439 . . . . 25.0 107.114 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.45 -32.88 63.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.608 0.363 . . . . 25.0 111.91 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.53 -43.96 96.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 25.0 111.902 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -72.46 -37.06 68.61 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.95 -32.26 70.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.177 -0.609 . . . . 25.0 112.047 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.06 -35.3 73.11 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.851 -0.531 . . . . 25.0 111.226 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.21 -16.89 61.96 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.682 -0.636 . . . . 25.0 110.969 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -94.37 1.2 55.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 25.0 109.941 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.0 t -102.12 -47.93 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.493 -1.299 . . . . 25.0 107.493 175.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 123.158 1.456 . . . . 25.0 112.283 177.528 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 115.266 1.58 . . . . 25.0 115.266 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.06 136.65 55.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 O-C-N 120.911 -1.118 . . . . 25.0 108.557 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -71.74 127.03 31.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.949 -0.569 . . . . 25.0 110.912 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -166.26 177.63 6.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -75.71 130.42 38.66 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.7 mt -136.57 140.24 42.75 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.91 165.78 30.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.65 -138.37 24.59 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.849 0.7 . . . . 25.0 114.849 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -59.54 -27.59 66.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -37.62 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.922 -0.486 . . . . 25.0 110.735 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -47.19 83.96 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.64 -42.68 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.288 -0.414 . . . . 25.0 110.525 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.77 -43.93 97.4 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 122.038 -0.413 . . . . 25.0 111.851 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.2 95.4 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -36.21 83.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.277 0.56 . . . . 25.0 109.888 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -65.72 -43.31 89.47 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.903 -0.498 . . . . 25.0 110.887 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.51 -41.63 92.94 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.649 -0.657 . . . . 25.0 110.903 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -77.81 -36.74 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 t -122.5 -40.64 2.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.831 1.419 . . . . 25.0 114.831 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.01 -35.04 86.0 Favored Glycine 0 C--N 1.318 -0.422 0 C-N-CA 120.378 -0.915 . . . . 25.0 112.262 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -72.66 -6.54 45.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.6 -27.62 10.25 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.017 -0.427 . . . . 25.0 111.514 177.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.97 140.66 5.87 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 109.47 -1.452 . . . . 25.0 109.47 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.55 21.87 8.06 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 115.206 0.842 . . . . 25.0 115.206 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -79.68 152.33 29.99 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.493 0.647 . . . . 25.0 111.876 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -110.87 -2.33 16.13 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 -175.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -80.35 83.8 2.15 Favored 'Trans proline' 0 C--N 1.394 2.965 0 C-N-CA 122.257 1.971 . . . . 25.0 112.487 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 125.177 2.417 . . . . 25.0 111.945 -179.098 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.488 0 CA-C-O 123.163 1.424 . . . . 25.0 116.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -55.7 -34.73 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.157 -1.202 . . . . 25.0 112.612 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.08 -38.55 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 O-C-N 121.389 -0.82 . . . . 25.0 110.775 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.34 -28.14 61.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.161 0.505 . . . . 25.0 111.303 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.1 -37.88 21.46 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 112.875 0.694 . . . . 25.0 112.875 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -104.71 -42.21 5.45 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.9 1.445 . . . . 25.0 114.9 -174.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -76.88 -56.67 4.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 118.664 -1.214 . . . . 25.0 108.357 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -69.18 -43.68 73.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -116.32 -173.2 2.32 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.148 -0.345 . . . . 25.0 111.32 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -93.61 133.51 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.245 -1.391 . . . . 25.0 107.245 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -132.66 160.26 37.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.375 0.607 . . . . 25.0 110.123 175.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -116.07 166.89 11.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.223 -0.899 . . . . 25.0 110.585 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -28.12 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.544 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.68 -44.37 93.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.343 0.592 . . . . 25.0 110.318 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.02 -36.99 69.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.56 -39.56 76.96 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.553 -0.459 . . . . 25.0 111.43 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.09 -30.24 67.95 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.008 0.744 . . . . 25.0 113.008 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -72.52 -18.59 61.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.215 -0.928 . . . . 25.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -85.31 -4.74 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.072 -0.393 . . . . 25.0 110.126 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.7 m -95.12 -9.89 32.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.399 1.095 . . . . 25.0 109.623 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t30 . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 125.045 2.355 . . . . 25.0 111.94 -175.652 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.3 t80 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 123.202 1.477 . . . . 25.0 114.806 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.17 146.66 28.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 173.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.97 135.26 44.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.432 -1.321 . . . . 25.0 107.432 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -168.13 177.99 5.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.867 -1.531 . . . . 25.0 106.867 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -78.11 133.75 37.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -135.21 137.32 42.52 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.6 162.72 39.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.46 -138.95 16.63 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 115.716 1.047 . . . . 25.0 115.716 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -28.34 67.1 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.445 -0.378 . . . . 25.0 112.019 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -69.22 -36.41 77.2 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 122.079 -0.388 . . . . 25.0 110.529 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.76 -46.74 86.61 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.55 -38.47 82.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.79 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.7 -43.89 97.64 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.956 -0.465 . . . . 25.0 111.352 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.17 97.73 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.38 -36.82 83.47 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.471 -0.331 . . . . 25.0 110.636 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -65.68 -42.22 91.5 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.718 -0.614 . . . . 25.0 110.578 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.9 -38.6 86.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.281 -0.568 . . . . 25.0 110.857 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -83.83 -33.63 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -125.88 -26.94 3.38 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 115.467 1.655 . . . . 25.0 115.467 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.6 -30.04 69.09 Favored Glycine 0 C--O 1.222 -0.649 0 N-CA-C 109.39 -1.484 . . . . 25.0 109.39 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -88.13 11.5 16.08 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.945 0.498 . . . . 25.0 110.973 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.98 -33.37 2.0 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 -176.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.49 131.21 5.75 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 109.0 -1.64 . . . . 25.0 109.0 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.3 53.37 0.54 Allowed Glycine 0 C--O 1.225 -0.44 0 CA-C-O 121.139 0.299 . . . . 25.0 112.452 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -116.74 143.87 45.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.806 -0.812 . . . . 25.0 108.806 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -113.3 -3.31 13.84 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.145 0.794 . . . . 25.0 113.145 -174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.93 88.26 1.47 Allowed 'Trans proline' 0 C--N 1.396 3.066 0 C-N-CA 121.81 1.673 . . . . 25.0 111.792 173.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 126.542 3.068 . . . . 25.0 113.355 -178.459 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.583 0 CA-C-O 123.871 1.817 . . . . 25.0 114.133 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt -54.62 -33.96 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 120.693 -1.475 . . . . 25.0 114.251 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -65.77 -44.77 93.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.399 -0.964 . . . . 25.0 108.399 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.26 -15.52 60.98 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.101 -0.5 . . . . 25.0 112.305 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -90.38 -39.64 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.03 -40.56 4.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -77.77 -17.08 57.91 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.027 -0.669 . . . . 25.0 109.743 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -106.96 -56.16 2.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.389 -0.368 . . . . 25.0 111.78 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -175.92 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.782 -0.574 . . . . 25.0 111.556 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mm -86.48 133.39 29.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -133.0 160.62 36.63 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -126.47 175.36 7.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 25.0 109.874 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.47 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -55.33 -32.68 62.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.512 -0.767 . . . . 25.0 111.706 177.436 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.73 -48.77 80.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.513 . . . . 25.0 111.363 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.73 -41.49 83.37 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 120.167 -0.613 . . . . 25.0 109.469 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.49 -35.8 72.78 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -61.45 -29.81 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.296 -0.561 . . . . 25.0 111.578 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -71.02 -17.1 62.64 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.432 -0.792 . . . . 25.0 110.485 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -95.63 -1.86 49.38 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 121.217 0.532 . . . . 25.0 109.689 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.1 t -99.5 -41.24 7.46 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.601 -0.888 . . . . 25.0 108.601 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 126.201 2.905 . . . . 25.0 112.898 178.208 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 114.394 1.257 . . . . 25.0 114.394 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.63 143.88 39.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 O-C-N 120.804 -1.185 . . . . 25.0 107.885 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -78.84 125.66 29.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -163.07 177.76 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 -174.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -76.21 134.38 39.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.4 mt -138.01 143.25 40.52 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.9 164.5 36.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.579 -0.282 . . . . 25.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.72 -140.08 16.21 Favored Glycine 0 C--O 1.221 -0.662 0 N-CA-C 116.351 1.3 . . . . 25.0 116.351 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -60.14 -26.72 66.5 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.484 -0.421 . . . . 25.0 111.846 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -38.49 81.16 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.874 -0.516 . . . . 25.0 110.17 176.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -44.67 94.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.96 -43.24 97.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.312 -0.403 . . . . 25.0 110.162 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.58 -45.15 95.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 118.149 0.431 . . . . 25.0 110.67 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.781 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.863 0.363 . . . . 25.0 111.32 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.79 -40.04 83.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.286 -0.258 . . . . 25.0 110.811 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -68.85 -38.52 79.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.056 -0.403 . . . . 25.0 111.307 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.55 -34.05 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 t -131.08 -23.71 2.43 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 116.74 2.126 . . . . 25.0 116.74 -172.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -68.67 -29.42 72.77 Favored Glycine 0 C--O 1.218 -0.875 0 C-N-CA 120.46 -0.876 . . . . 25.0 111.796 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -94.8 23.55 5.39 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.779 0.8 . . . . 25.0 110.555 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -136.18 -36.46 0.74 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.513 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -127.78 -139.01 4.77 Favored Glycine 0 C--O 1.216 -1.025 0 N-CA-C 110.193 -1.163 . . . . 25.0 110.193 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.57 -26.65 8.49 Favored Glycine 0 C--O 1.225 -0.417 0 CA-C-N 114.425 -0.888 . . . . 25.0 114.862 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.404 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 2.9 t80 59.32 -167.08 0.17 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.358 0.663 . . . . 25.0 111.641 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -140.92 -13.52 0.94 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -81.09 83.62 2.16 Favored 'Trans proline' 0 C--N 1.389 2.711 0 C-N-CA 122.147 1.898 . . . . 25.0 112.919 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.498 1.926 0 CA-C-O 126.279 2.942 . . . . 25.0 113.924 -178.81 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 CA-C-O 123.104 1.391 . . . . 25.0 116.199 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp -54.69 -33.31 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 121.338 -1.095 . . . . 25.0 113.047 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.79 -44.51 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 O-C-N 121.901 -0.5 . . . . 25.0 111.102 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.71 -30.84 68.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.404 0.621 . . . . 25.0 111.273 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -77.4 -41.63 39.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.732 -0.667 . . . . 25.0 112.76 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.8 m -106.99 -38.48 6.02 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 116.158 1.91 . . . . 25.0 116.158 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -80.31 -53.1 6.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 m -72.26 -42.7 65.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.105 -0.952 . . . . 25.0 112.441 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -118.22 -173.17 2.4 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 120.7 0.286 . . . . 25.0 111.269 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.8 mm -94.94 133.44 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -135.17 160.5 38.17 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -127.29 177.39 6.74 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -30.96 64.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.665 0.386 . . . . 25.0 111.69 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -60.78 -46.29 91.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.365 0.602 . . . . 25.0 110.342 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -71.08 -42.85 68.84 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 107.694 -1.224 . . . . 25.0 107.694 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 2.5 mp -56.4 -36.75 69.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.4 1.259 . . . . 25.0 114.4 -176.309 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.34 -30.82 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -70.47 -15.6 62.83 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.849 -0.532 . . . . 25.0 111.096 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 90.6 m-85 -96.37 9.35 41.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.521 0.677 . . . . 25.0 109.941 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.87 -40.71 2.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.19 -0.914 . . . . 25.0 111.216 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.2 t30 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 126.369 2.985 . . . . 25.0 112.016 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 123.347 1.546 . . . . 25.0 114.043 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.53 138.01 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.229 -0.896 . . . . 25.0 109.312 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -79.39 132.33 36.37 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -166.46 177.39 6.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.669 -1.604 . . . . 25.0 106.669 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -73.92 132.78 42.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.9 mt -135.12 131.85 37.37 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -144.78 161.9 38.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.726 . . . . 25.0 109.038 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.4 -136.94 21.17 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 116.141 1.216 . . . . 25.0 116.141 177.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -61.17 -29.71 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.483 -0.358 . . . . 25.0 111.784 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -41.44 97.91 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -44.97 88.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.389 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.77 -41.79 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 121.011 -0.276 . . . . 25.0 110.28 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -62.55 -41.21 98.76 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 122.012 -0.43 . . . . 25.0 111.544 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.32 93.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.661 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.16 -36.86 83.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.611 0.569 . . . . 25.0 110.998 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -66.13 -41.09 90.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.097 0.475 . . . . 25.0 111.698 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.61 -39.89 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.57 -0.706 . . . . 25.0 111.945 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.56 -36.83 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.83 -26.63 2.18 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 117.494 2.405 . . . . 25.0 117.494 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.407 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -66.66 -37.78 92.72 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 120.167 -1.016 . . . . 25.0 110.931 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -79.53 -7.7 58.65 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.649 0.737 . . . . 25.0 110.484 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -99.65 9.28 43.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.267 -0.878 . . . . 25.0 109.896 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.95 17.9 73.68 Favored Glycine 0 N--CA 1.463 0.451 0 N-CA-C 116.474 1.35 . . . . 25.0 116.474 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.55 71.1 0.45 Allowed Glycine 0 C--N 1.319 -0.391 0 CA-C-O 119.654 -0.526 . . . . 25.0 112.024 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.407 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 1.2 t80 -126.84 151.15 48.73 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 117.102 0.451 . . . . 25.0 111.514 -179.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -114.11 -4.54 13.13 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.397 0.518 . . . . 25.0 112.397 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -80.73 80.44 3.02 Favored 'Trans proline' 0 C--N 1.392 2.863 0 C-N-CA 122.075 1.85 . . . . 25.0 112.355 174.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 124.689 2.185 . . . . 25.0 109.515 176.437 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 CA-C-O 122.738 1.188 . . . . 25.0 114.935 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -57.38 -30.99 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.021 -1.282 . . . . 25.0 112.305 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.13 -46.98 86.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 121.656 -0.653 . . . . 25.0 110.474 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -72.01 -31.33 66.1 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.338 -0.851 . . . . 25.0 111.722 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -37.35 60.36 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.1 m -111.51 -40.72 4.28 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.1 m -74.91 -52.21 11.85 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -75.86 -43.6 44.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -116.08 -176.1 2.88 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.353 0.871 . . . . 25.0 113.353 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -91.41 130.72 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.504 -1.295 . . . . 25.0 107.504 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -129.7 155.6 45.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 m -118.45 162.52 18.19 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.874 -1.057 . . . . 25.0 109.879 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -33.99 58.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.759 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -58.83 -45.91 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.572 . . . . 25.0 111.956 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -76.26 -34.52 59.15 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 119.483 -0.887 . . . . 25.0 109.568 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 1.5 mp -54.95 -38.23 67.46 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -53.62 -36.5 62.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -67.99 -25.94 65.66 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.584 -0.697 . . . . 25.0 111.145 -177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.413 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 98.0 m-85 -81.45 -9.67 59.67 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.7 t -92.6 -35.64 13.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.15 -1.056 . . . . 25.0 108.15 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 t30 . . . . . 0 C--O 1.213 -0.846 0 CA-C-O 123.248 1.499 . . . . 25.0 113.658 177.479 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 123.069 1.414 . . . . 25.0 113.992 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -114.76 146.97 18.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 173.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.92 136.28 43.31 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -167.9 178.69 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.245 -1.391 . . . . 25.0 107.245 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -77.54 134.89 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.162 -1.422 . . . . 25.0 107.162 171.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.9 mt -136.58 136.85 39.59 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -153.64 164.39 38.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.73 29.96 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 114.621 0.608 . . . . 25.0 114.621 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -30.27 69.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.587 -0.307 . . . . 25.0 111.528 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -64.21 -38.55 91.46 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.056 -0.403 . . . . 25.0 110.586 175.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -42.86 90.94 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.689 -0.485 . . . . 25.0 109.689 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.3 -43.5 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-O 120.79 0.329 . . . . 25.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -59.97 -44.28 94.57 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.842 0.353 . . . . 25.0 110.589 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.23 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 25.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.24 -37.72 88.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.466 . . . . 25.0 110.898 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -66.28 -40.86 90.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.009 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.2 -41.6 85.55 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.7 -0.625 . . . . 25.0 110.79 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 16' ' ' LEU . 12.3 p -79.61 -33.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 -177.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.44 -34.21 2.72 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.939 1.829 . . . . 25.0 115.939 -175.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.63 -33.78 88.14 Favored Glycine 0 C--O 1.216 -1.014 0 C-N-CA 120.344 -0.932 . . . . 25.0 112.413 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -81.13 14.23 2.42 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 121.484 0.659 . . . . 25.0 111.917 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -124.67 -28.45 3.55 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.126 0.57 . . . . 25.0 112.034 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.21 -131.87 3.1 Favored Glycine 0 C--O 1.216 -0.979 0 N-CA-C 111.04 -0.824 . . . . 25.0 111.04 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.22 -24.57 5.91 Favored Glycine 0 C--O 1.224 -0.503 0 N-CA-C 115.29 0.876 . . . . 25.0 115.29 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.5 t80 64.76 -179.9 0.18 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.145 0.978 . . . . 25.0 111.761 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -126.65 -0.23 6.79 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.295 0.569 . . . . 25.0 111.76 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.97 77.2 4.17 Favored 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.276 1.984 . . . . 25.0 112.269 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 124.936 2.303 . . . . 25.0 110.11 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 CA-C-O 122.984 1.324 . . . . 25.0 114.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp -56.68 -32.25 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 121.345 -1.091 . . . . 25.0 112.627 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.1 t -67.03 -43.0 89.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 121.866 -0.521 . . . . 25.0 109.802 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.92 -36.66 72.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.011 0.91 . . . . 25.0 109.62 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -67.03 -42.57 84.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.595 -0.73 . . . . 25.0 112.693 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -110.24 -35.26 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 116.071 1.878 . . . . 25.0 116.071 -173.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.74 -51.2 8.93 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -72.65 -48.86 35.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.686 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -114.24 -176.13 2.83 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.534 -0.729 . . . . 25.0 111.993 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.51 132.62 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.47 164.35 21.33 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -129.95 164.48 24.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.94 -33.7 64.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.103 0.477 . . . . 25.0 112.209 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.31 -45.26 91.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.948 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.0 -41.05 74.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.76 -35.85 69.12 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -56.83 -33.08 66.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -67.82 -18.72 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.532 -0.73 . . . . 25.0 111.401 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -91.37 -5.76 53.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.127 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.9 m -74.8 -21.15 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.149 0.5 . . . . 25.0 111.869 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 123.311 1.529 . . . . 25.0 113.217 173.765 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 122.929 1.347 . . . . 25.0 114.521 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -134.57 146.45 30.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 174.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -75.05 127.6 33.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.64 . . . . 25.0 109.76 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -164.27 177.58 8.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -77.37 136.14 38.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 172.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -137.77 139.04 39.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 164.7 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.02 -140.98 21.54 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 116.267 1.267 . . . . 25.0 116.267 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 p -60.52 -31.4 70.48 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.345 -0.428 . . . . 25.0 111.106 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -37.62 88.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.911 -0.493 . . . . 25.0 110.955 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -45.34 84.61 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.68 -42.08 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.17 -44.45 96.57 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 122.426 -0.171 . . . . 25.0 111.185 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.01 99.55 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.017 -0.427 . . . . 25.0 110.787 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.76 -38.46 90.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 25.0 110.994 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -65.19 -40.4 94.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.843 -0.535 . . . . 25.0 111.047 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.511 -0.743 . . . . 25.0 110.853 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -78.86 -35.95 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 m -120.26 -38.4 2.92 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 116.961 2.208 . . . . 25.0 116.961 -175.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.82 -31.65 81.62 Favored Glycine 0 C--O 1.22 -0.74 0 C-N-CA 120.462 -0.875 . . . . 25.0 112.14 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -85.05 1.01 49.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.919 0.39 . . . . 25.0 111.555 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 -109.0 -37.63 5.78 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.02 0.528 . . . . 25.0 110.741 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.08 117.55 1.74 Allowed Glycine 0 C--O 1.225 -0.448 0 N-CA-C 109.908 -1.277 . . . . 25.0 109.908 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.61 108.3 2.63 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 121.134 -0.555 . . . . 25.0 113.481 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -157.39 156.36 32.12 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.273 -1.751 . . . . 25.0 106.273 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -97.4 -3.46 40.16 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 120.823 0.344 . . . . 25.0 111.573 -176.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -81.22 73.98 5.69 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 122.36 2.04 . . . . 25.0 112.724 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 125.248 2.451 . . . . 25.0 110.266 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 CA-C-O 123.091 1.384 . . . . 25.0 116.196 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -54.51 -34.82 29.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 O-C-N 121.479 -1.012 . . . . 25.0 112.624 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.32 -46.66 89.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.137 -0.977 . . . . 25.0 110.444 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.2 -27.76 64.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.077 0.465 . . . . 25.0 111.12 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.44 -30.45 17.34 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 114.056 1.132 . . . . 25.0 114.056 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.7 m -109.78 -37.34 5.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.564 1.69 . . . . 25.0 115.564 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -79.78 -54.99 5.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.365 -1.717 . . . . 25.0 106.365 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -70.58 -44.56 67.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.598 -0.728 . . . . 25.0 112.529 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -114.69 -176.98 3.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.033 0.444 . . . . 25.0 112.027 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -91.54 132.4 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -129.51 150.99 50.61 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.1 t -110.1 161.78 15.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -55.01 -34.04 63.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.44 0.638 . . . . 25.0 111.161 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 25.0 111.575 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -78.71 -37.06 42.47 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.171 -0.442 . . . . 25.0 110.829 176.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.77 -37.47 63.48 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.557 0.617 . . . . 25.0 109.838 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.89 -33.35 68.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.66 -20.8 65.35 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.854 -0.529 . . . . 25.0 111.214 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -89.28 -9.01 52.22 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 120.868 0.366 . . . . 25.0 110.872 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.8 t -84.72 -50.42 7.63 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.061 -1.459 . . . . 25.0 107.061 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.3 t30 . . . . . 0 C--O 1.208 -1.117 0 CA-C-N 114.378 -1.283 . . . . 25.0 113.842 177.979 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 123.642 1.687 . . . . 25.0 115.03 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.72 133.55 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -73.29 125.29 27.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -164.21 176.81 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -171.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -74.48 132.0 41.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.579 -0.897 . . . . 25.0 108.579 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -139.12 138.47 37.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.732 -0.84 . . . . 25.0 108.732 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.67 168.62 23.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.49 -141.9 37.77 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-O 122.406 1.004 . . . . 25.0 115.283 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -28.2 69.05 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 114.754 -0.723 . . . . 25.0 111.448 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -68.35 -36.91 79.94 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.612 -0.68 . . . . 25.0 109.86 176.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -44.28 92.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.147 -0.316 . . . . 25.0 110.147 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.6 -43.23 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.55 -44.73 89.77 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 122.131 -0.356 . . . . 25.0 110.733 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.48 89.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.582 -0.447 . . . . 25.0 110.269 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -36.22 82.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 25.0 111.262 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.38 -40.99 85.72 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.165 -0.334 . . . . 25.0 110.902 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -66.58 -41.73 88.07 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.651 -0.656 . . . . 25.0 110.899 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.82 -33.79 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.98 -32.64 2.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 116.016 1.858 . . . . 25.0 116.016 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -36.58 93.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.237 -0.982 . . . . 25.0 112.825 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.38 -25.37 62.34 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.711 0.291 . . . . 25.0 111.64 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -73.84 -33.77 64.27 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.081 -0.387 . . . . 25.0 111.101 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.64 139.49 5.66 Favored Glycine 0 C--O 1.212 -1.243 0 N-CA-C 109.691 -1.364 . . . . 25.0 109.691 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.74 26.35 8.08 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 115.986 1.154 . . . . 25.0 115.986 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -77.84 150.59 34.18 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.725 -0.868 . . . . 25.0 110.691 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -99.08 -4.27 32.74 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -80.83 74.88 5.33 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 121.958 1.772 . . . . 25.0 113.413 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.21 -1.022 0 CA-C-O 124.501 2.096 . . . . 25.0 112.677 -173.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.128 0 N-CA-C 116.101 1.201 . . . . 25.0 116.101 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.481 HD11 HD22 ' B' ' 11' ' ' LEU . 17.7 tt -56.24 -32.93 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 120.681 -1.482 . . . . 25.0 112.04 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.26 -45.05 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 121.406 -0.809 . . . . 25.0 109.015 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.26 -21.4 61.38 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 121.61 0.719 . . . . 25.0 112.523 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -90.68 -36.07 14.57 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.7 m -109.32 -41.07 4.74 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.0 -51.67 20.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m -75.37 -43.53 49.85 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -117.5 -176.05 2.94 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 -174.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mm -91.28 131.36 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.99 156.9 48.24 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -116.35 173.21 6.72 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.83 -30.73 64.04 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.813 -0.63 . . . . 25.0 111.428 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.01 -47.58 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.38 -39.81 81.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.12 -36.78 73.43 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.863 -0.523 . . . . 25.0 112.229 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.69 -30.21 68.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.882 -0.58 . . . . 25.0 111.836 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -68.47 -20.68 64.62 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.649 0.738 . . . . 25.0 110.994 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -90.61 6.04 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.287 -0.869 . . . . 25.0 110.779 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.2 t -121.35 -42.85 2.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.964 0.888 . . . . 25.0 110.626 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 125.963 1.705 . . . . 25.0 111.294 -177.605 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 123.278 1.513 . . . . 25.0 114.555 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.9 p -123.73 141.81 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 107.435 -1.32 . . . . 25.0 107.435 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -74.7 129.21 37.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.255 0.55 . . . . 25.0 109.704 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -164.96 177.04 8.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 -172.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -74.34 133.36 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 32.1 mt -134.64 136.15 42.65 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.33 163.82 37.36 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.54 -139.03 12.55 Favored Glycine 0 N--CA 1.463 0.5 0 N-CA-C 115.952 1.141 . . . . 25.0 115.952 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -27.9 68.36 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.974 -0.721 . . . . 25.0 111.316 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -67.48 -37.86 83.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.367 -0.833 . . . . 25.0 110.754 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -63.71 -44.81 92.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 174.387 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.66 -43.75 97.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.89 -45.05 91.17 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.785 -0.572 . . . . 25.0 111.026 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.61 98.72 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.744 -0.383 . . . . 25.0 110.397 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.88 -36.59 84.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.222 0.534 . . . . 25.0 112.222 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -68.17 -41.72 81.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.455 -0.338 . . . . 25.0 110.22 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.21 -41.31 86.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.831 -0.543 . . . . 25.0 110.487 -177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.05 -33.46 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.761 -0.776 . . . . 25.0 112.893 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 t -124.69 -33.46 2.97 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 116.715 2.116 . . . . 25.0 116.715 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.447 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -61.79 -38.78 96.52 Favored Glycine 0 N--CA 1.466 0.661 0 C-N-CA 120.427 -0.892 . . . . 25.0 111.831 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.69 -9.87 58.92 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -77.19 -26.22 52.63 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.683 -0.636 . . . . 25.0 111.493 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.21 81.91 1.1 Allowed Glycine 0 CA--C 1.528 0.853 0 CA-C-N 115.627 -0.715 . . . . 25.0 113.282 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.61 -117.43 0.71 Allowed Glycine 0 C--O 1.221 -0.694 0 N-CA-C 109.793 -1.323 . . . . 25.0 109.793 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.447 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 2.3 t80 67.42 178.69 0.23 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.814 1.246 . . . . 25.0 113.56 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -128.07 -26.24 2.9 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.961 -0.563 . . . . 25.0 112.271 -174.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -80.7 76.21 4.64 Favored 'Trans proline' 0 C--N 1.401 3.3 0 C-N-CA 122.74 2.293 . . . . 25.0 112.74 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 125.786 2.708 . . . . 25.0 111.249 -173.097 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 CA-C-O 123.064 1.369 . . . . 25.0 115.4 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -56.61 -32.93 38.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 O-C-N 120.96 -1.318 . . . . 25.0 112.892 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.94 -46.4 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -68.98 -26.24 64.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.937 -0.477 . . . . 25.0 111.572 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -79.57 -42.42 25.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.53 -35.72 5.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 116.323 1.971 . . . . 25.0 116.323 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.36 -48.0 16.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.471 -1.677 . . . . 25.0 106.471 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 m -72.17 -44.76 62.55 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -125.37 -176.88 3.71 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.553 -0.717 . . . . 25.0 112.58 -176.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.26 134.11 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -131.93 154.98 48.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -118.81 164.27 15.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.828 -0.624 . . . . 25.0 109.425 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -33.96 55.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 25.0 112.415 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.17 -39.26 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.394 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.86 -38.87 24.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.29 -37.78 65.16 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.774 -0.648 . . . . 25.0 111.881 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.87 -34.13 67.55 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.14 0.793 . . . . 25.0 113.14 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.6 -16.08 62.28 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.852 -0.53 . . . . 25.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.85 -1.05 57.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.1 t -99.58 -41.06 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.199 0.999 . . . . 25.0 110.004 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.2 t30 . . . . . 0 C--O 1.211 -0.952 0 CA-C-O 125.045 2.355 . . . . 25.0 111.76 -178.736 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 123.391 1.567 . . . . 25.0 114.229 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t -98.19 131.71 44.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 O-C-N 120.799 -1.188 . . . . 25.0 108.441 173.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -71.77 121.12 18.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -161.16 177.53 10.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 -171.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.08 132.29 43.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -137.44 138.88 40.25 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.198 -1.038 . . . . 25.0 108.198 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -152.26 167.22 29.32 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -140.84 28.07 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 115.743 1.057 . . . . 25.0 115.743 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -61.38 -29.01 69.65 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.711 -0.288 . . . . 25.0 111.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -65.22 -38.81 91.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.473 -0.767 . . . . 25.0 110.78 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -45.48 89.21 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.05 -42.88 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.69 -0.485 . . . . 25.0 109.69 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.77 -42.77 99.41 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.521 -0.112 . . . . 25.0 110.74 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.76 95.68 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.282 -0.567 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -38.57 90.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.521 0.677 . . . . 25.0 109.658 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -67.48 -41.77 84.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 25.0 112.17 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.07 -38.54 82.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.545 -0.722 . . . . 25.0 110.796 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.53 -38.56 22.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.096 -0.642 . . . . 25.0 112.29 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.8 t -125.88 -30.22 3.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.532 2.049 . . . . 25.0 116.532 -173.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.72 -28.01 73.56 Favored Glycine 0 C--O 1.218 -0.858 0 C-N-CA 120.031 -1.081 . . . . 25.0 111.732 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -84.4 8.79 15.09 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 122.189 -0.594 . . . . 25.0 112.195 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 -37.34 1.71 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.679 0.992 . . . . 25.0 113.679 -174.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.79 -138.04 5.33 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.534 -1.027 . . . . 25.0 110.534 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.57 -34.86 4.85 Favored Glycine 0 C--N 1.32 -0.35 0 N-CA-C 116.048 1.179 . . . . 25.0 116.048 -176.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.93 179.07 0.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.369 0.668 . . . . 25.0 112.283 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -130.78 -2.68 4.15 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.46 0.541 . . . . 25.0 112.46 -174.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -78.61 74.93 5.22 Favored 'Trans proline' 0 C--N 1.393 2.881 0 C-N-CA 122.254 1.969 . . . . 25.0 113.453 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 125.412 2.53 . . . . 25.0 110.875 -174.765 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 CA-C-O 123.157 1.421 . . . . 25.0 113.864 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -54.08 -33.91 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.748 0.819 . . . . 25.0 112.348 -176.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.82 -49.66 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 121.219 -0.926 . . . . 25.0 111.934 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -73.68 -16.78 61.19 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.267 -0.895 . . . . 25.0 111.43 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -83.86 -49.64 8.85 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 121.881 -0.512 . . . . 25.0 111.747 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -106.02 -21.9 13.02 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.281 1.586 . . . . 25.0 115.281 -169.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -86.81 -50.22 6.88 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.77 -1.567 . . . . 25.0 106.77 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.0 m -72.25 -45.89 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.631 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -114.36 -171.61 1.95 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 mm -95.92 133.51 36.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 C-N-CA 123.455 0.702 . . . . 25.0 110.591 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -121.28 146.82 46.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 25.0 110.401 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -106.29 168.4 9.17 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -55.88 -30.77 62.07 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.66 0.743 . . . . 25.0 111.901 177.246 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.42 -47.0 87.14 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.543 -0.753 . . . . 25.0 111.308 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -72.34 -38.66 68.55 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.417 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.9 mm? -56.27 -35.86 67.93 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.836 0.289 . . . . 25.0 111.741 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.73 -28.3 69.33 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -67.72 -13.16 61.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.317 -0.864 . . . . 25.0 110.559 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -100.46 8.61 43.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.303 -0.248 . . . . 25.0 110.813 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.16 -38.43 83.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.9 t30 . . . . . 0 C--O 1.203 -1.362 0 CA-C-O 122.978 1.371 . . . . 25.0 112.285 -179.298 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 123.941 1.829 . . . . 25.0 115.134 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.0 135.09 44.49 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -72.59 131.02 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.796 -1.187 . . . . 25.0 107.796 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -166.83 -179.6 4.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.439 -0.948 . . . . 25.0 108.439 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.3 131.95 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 105.798 -1.927 . . . . 25.0 105.798 172.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.8 mt -132.49 137.49 47.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.25 159.9 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.915 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -134.42 17.69 Favored Glycine 0 N--CA 1.466 0.691 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -30.67 69.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.039 -0.58 . . . . 25.0 111.806 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.17 -34.51 76.44 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.089 -1.007 . . . . 25.0 110.967 176.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -43.15 90.01 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 175.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.41 -41.91 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.263 178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.81 -44.28 94.06 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 122.238 -0.289 . . . . 25.0 111.125 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.15 95.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.066 -0.396 . . . . 25.0 110.743 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -34.14 77.58 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.597 0.237 . . . . 25.0 111.293 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -68.37 -44.37 75.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.653 -0.419 . . . . 25.0 110.766 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.634 0.731 . . . . 25.0 110.209 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 16' ' ' LEU . 7.8 p -82.56 -32.81 10.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 114.501 1.297 . . . . 25.0 114.501 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -123.73 -34.18 3.07 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.184 1.92 . . . . 25.0 116.184 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -28.65 73.57 Favored Glycine 0 C--O 1.226 -0.397 0 C-N-CA 120.218 -0.991 . . . . 25.0 111.449 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -88.41 7.48 32.46 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 122.58 -0.365 . . . . 25.0 111.837 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -114.67 -39.58 3.73 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 122.047 -0.408 . . . . 25.0 111.529 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.57 126.01 1.79 Allowed Glycine 0 C--O 1.216 -1.011 0 O-C-N 123.978 0.799 . . . . 25.0 113.589 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.06 102.0 0.83 Allowed Glycine 0 C--O 1.23 -0.125 0 N-CA-C 112.329 -0.308 . . . . 25.0 112.329 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -140.43 147.86 40.33 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 176.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -105.96 -1.92 23.47 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.863 0.69 . . . . 25.0 112.863 -170.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.43 83.8 2.09 Favored 'Trans proline' 0 C--N 1.401 3.299 0 C-N-CA 122.022 1.815 . . . . 25.0 112.902 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 125.256 2.455 . . . . 25.0 110.965 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.973 0 CA-C-O 123.189 1.438 . . . . 25.0 115.32 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.1 tp -57.85 -34.53 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 O-C-N 120.504 -1.586 . . . . 25.0 111.126 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.28 -43.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.196 -0.315 . . . . 25.0 111.17 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -70.05 -28.14 65.21 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.211 -0.931 . . . . 25.0 111.469 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.35 -33.69 20.48 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 113.102 0.778 . . . . 25.0 113.102 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.8 m -106.43 -35.52 7.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.5 1.667 . . . . 25.0 115.5 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -80.95 -53.23 6.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.9 m -71.49 -46.44 59.81 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -177.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.7 p -114.2 -177.2 3.07 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 122.148 -0.345 . . . . 25.0 110.546 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.2 mm -91.44 133.71 32.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.08 155.63 44.08 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -122.14 164.97 16.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.248 -0.887 . . . . 25.0 109.357 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.44 -34.81 62.12 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.462 0.648 . . . . 25.0 112.303 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.372 0.669 . . . . 25.0 111.491 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -80.97 -38.86 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.399 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.6 mm? -52.01 -39.36 59.37 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.824 0.45 . . . . 25.0 111.921 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.9 -30.76 66.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.449 1.278 . . . . 25.0 114.449 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -68.28 -19.75 64.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.617 0.723 . . . . 25.0 111.275 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.91 6.0 43.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.021 0.439 . . . . 25.0 110.236 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -122.61 -46.2 2.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.4 t30 . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 122.785 1.278 . . . . 25.0 112.534 -174.048 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.301 1.524 . . . . 25.0 114.379 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.4 t -107.49 131.97 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.679 -1.263 . . . . 25.0 109.167 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -74.89 124.07 26.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -162.05 178.22 9.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 -173.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -74.52 116.95 15.78 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.493 -1.299 . . . . 25.0 107.493 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 mt -119.97 136.33 54.58 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.45 164.61 36.37 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.987 -0.551 . . . . 25.0 110.541 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.14 -136.09 30.67 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 115.604 1.002 . . . . 25.0 115.604 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -62.65 -29.35 70.56 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.506 -0.409 . . . . 25.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.94 -37.16 83.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.64 -0.663 . . . . 25.0 110.774 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -45.29 85.51 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 174.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.79 -42.78 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -61.13 -42.23 98.16 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.901 -0.499 . . . . 25.0 109.953 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -36.06 82.49 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.509 0.506 . . . . 25.0 110.316 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -67.95 -42.53 80.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.86 -41.57 82.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.618 0.723 . . . . 25.0 110.732 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 16' ' ' LEU . 11.8 p -79.17 -35.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 25.0 112.457 -177.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 -22.97 1.63 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 117.701 2.482 . . . . 25.0 117.701 -173.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.74 -39.48 96.68 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 109.935 -1.266 . . . . 25.0 109.935 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.91 5.92 3.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.9 -43.78 2.86 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 122.164 -0.335 . . . . 25.0 111.157 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.97 -0.54 24.13 Favored Glycine 0 C--O 1.223 -0.592 0 N-CA-C 116.095 1.198 . . . . 25.0 116.095 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.73 -25.13 29.47 Favored Glycine 0 N--CA 1.463 0.48 0 CA-C-N 118.289 1.045 . . . . 25.0 114.115 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 t80 70.09 171.46 0.31 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -119.38 -6.31 10.31 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -175.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -77.04 83.48 2.12 Favored 'Trans proline' 0 C--N 1.397 3.112 0 C-N-CA 122.445 2.097 . . . . 25.0 112.838 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.21 -1.0 0 CA-C-O 124.882 2.277 . . . . 25.0 110.524 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 CA-C-O 123.05 1.361 . . . . 25.0 115.339 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp -59.68 -27.05 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.559 -0.965 . . . . 25.0 111.515 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.35 -45.83 97.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.039 -0.413 . . . . 25.0 110.32 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -71.04 -28.83 64.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.383 -0.823 . . . . 25.0 111.075 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -76.04 -37.98 57.7 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.2 m -118.78 -34.94 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -80.61 -20.81 42.37 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -108.71 -50.19 3.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.934 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -112.97 -175.02 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.129 -0.357 . . . . 25.0 110.243 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mm -92.72 133.3 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -127.91 152.55 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.222 0.534 . . . . 25.0 109.921 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -118.76 162.17 18.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.121 -0.945 . . . . 25.0 109.01 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -52.6 -33.11 44.81 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -57.83 -46.2 85.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.474 -0.784 . . . . 25.0 111.166 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -73.78 -39.79 63.91 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.06 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.94 -36.66 60.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.959 0.355 . . . . 25.0 111.959 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.46 -31.24 67.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.731 1.011 . . . . 25.0 113.731 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.12 -16.07 63.57 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.899 -0.5 . . . . 25.0 110.793 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -97.49 5.78 49.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.252 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.49 -51.18 2.99 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 . . . . . 0 C--O 1.209 -1.076 0 C-N-CA 125.823 1.649 . . . . 25.0 114.456 174.314 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 123.002 1.382 . . . . 25.0 114.575 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.7 t -114.76 132.07 65.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 121.248 -0.908 . . . . 25.0 109.205 176.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.09 125.32 28.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -166.55 176.54 7.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.13 131.28 41.15 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 173.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -135.47 141.73 45.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.92 168.57 25.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.6 -142.61 19.76 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.283 0.873 . . . . 25.0 115.283 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.69 -29.27 66.5 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.349 -0.425 . . . . 25.0 111.498 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -36.49 81.63 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 121.961 -0.462 . . . . 25.0 110.542 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -43.91 84.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 174.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.37 -41.91 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -60.58 -45.39 94.14 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 122.347 0.259 . . . . 25.0 111.232 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -46.63 89.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.441 -0.504 . . . . 25.0 111.088 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -36.14 82.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.088 0.471 . . . . 25.0 109.864 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -69.82 -41.77 74.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.667 -0.646 . . . . 25.0 111.411 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.36 -37.51 85.48 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.687 -0.633 . . . . 25.0 111.287 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.15 -37.84 17.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.106 -0.638 . . . . 25.0 112.29 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.0 t -124.86 -40.55 2.18 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 116.847 2.166 . . . . 25.0 116.847 -174.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.24 -32.51 72.09 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 120.015 -1.088 . . . . 25.0 113.552 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.53 -3.23 5.84 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.344 1.239 . . . . 25.0 114.344 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.3 3.96 53.95 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.087 0.403 . . . . 25.0 110.191 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.46 36.87 5.75 Favored Glycine 0 N--CA 1.459 0.231 0 C-N-CA 120.62 -0.8 . . . . 25.0 114.617 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.21 -123.64 2.39 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.374 -0.69 . . . . 25.0 111.374 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 76.89 164.71 0.24 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.056 1.342 . . . . 25.0 114.483 175.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -122.62 -3.86 8.76 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.661 -0.699 . . . . 25.0 112.245 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -79.07 76.84 4.34 Favored 'Trans proline' 0 C--N 1.398 3.151 0 C-N-CA 122.492 2.128 . . . . 25.0 113.223 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.494 1.743 0 C-N-CA 125.742 1.617 . . . . 25.0 112.695 -179.704 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 CA-C-O 123.381 1.545 . . . . 25.0 115.142 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp -54.89 -39.79 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 121.266 -1.138 . . . . 25.0 112.001 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.65 -30.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.393 -0.817 . . . . 25.0 111.336 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -78.77 -17.77 55.25 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.5 -0.75 . . . . 25.0 111.359 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -96.81 -34.15 11.4 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -101.71 -33.55 9.82 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 115.329 1.603 . . . . 25.0 115.329 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -88.87 -49.69 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -68.16 -45.78 72.57 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -118.36 -174.07 2.59 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -96.09 137.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t -124.3 175.7 6.91 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -29.69 64.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -63.99 -44.73 91.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.778 0.799 . . . . 25.0 110.394 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -71.0 -41.51 70.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.1 -40.89 70.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.607 0.242 . . . . 25.0 111.632 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -29.52 68.83 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.945 0.72 . . . . 25.0 112.945 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -71.49 -17.26 62.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.928 -0.482 . . . . 25.0 110.808 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -84.29 -9.33 58.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.1 m -89.16 -28.56 19.94 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.266 0.555 . . . . 25.0 110.43 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 124.519 2.104 . . . . 25.0 114.816 -178.5 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 123.836 1.779 . . . . 25.0 114.867 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.75 127.23 65.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 120.464 -1.397 . . . . 25.0 109.357 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -75.05 127.72 33.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -164.04 179.75 6.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 -172.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -76.9 108.26 9.82 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 173.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.04 131.44 53.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.1 161.95 36.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.718 -0.673 . . . . 25.0 109.925 -176.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -137.14 15.19 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -61.34 -28.84 69.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.319 -0.44 . . . . 25.0 111.828 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -66.44 -37.59 85.52 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.684 -0.635 . . . . 25.0 110.225 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -44.76 85.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.41 -40.86 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 120.709 -0.396 . . . . 25.0 110.06 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.65 -44.76 93.42 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.152 -0.343 . . . . 25.0 110.796 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.77 98.25 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.267 -0.573 . . . . 25.0 110.447 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.52 84.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.797 0.332 . . . . 25.0 110.428 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.16 -44.06 85.15 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.008 -0.433 . . . . 25.0 111.181 175.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.78 -41.48 87.59 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.668 -0.645 . . . . 25.0 110.456 -176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.37 -33.43 15.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.4 -26.92 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 117.742 2.497 . . . . 25.0 117.742 -174.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.4 -32.15 60.24 Favored Glycine 0 C--O 1.215 -1.074 0 N-CA-C 110.243 -1.143 . . . . 25.0 110.243 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -80.89 -17.09 51.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.777 0.799 . . . . 25.0 109.753 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -83.7 -45.03 13.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.18 -0.918 . . . . 25.0 111.13 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 26.68 1.13 Allowed Glycine 0 CA--C 1.522 0.475 0 CA-C-N 114.868 -1.06 . . . . 25.0 114.208 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -146.08 81.92 0.2 Allowed Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.4 -1.08 . . . . 25.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -149.04 156.46 42.27 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -113.42 0.52 14.77 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 122.921 0.488 . . . . 25.0 112.128 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -79.83 76.66 4.42 Favored 'Trans proline' 0 C--N 1.397 3.085 0 C-N-CA 121.92 1.747 . . . . 25.0 112.622 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 124.98 2.324 . . . . 25.0 111.089 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.059 0 CA-C-O 122.448 1.026 . . . . 25.0 114.53 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 tt -56.11 -29.81 27.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 O-C-N 121.283 -1.127 . . . . 25.0 112.357 -178.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -61.1 -42.87 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 O-C-N 121.438 -0.788 . . . . 25.0 111.396 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -79.75 -17.38 53.63 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.221 -0.924 . . . . 25.0 111.924 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -38.97 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.638 0.607 . . . . 25.0 112.638 177.292 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -106.99 -37.6 6.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 114.866 1.432 . . . . 25.0 114.866 -176.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -75.87 -54.29 7.13 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.875 -1.13 . . . . 25.0 108.172 179.088 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -70.45 -43.19 70.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.323 0.86 . . . . 25.0 113.323 -178.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -117.43 -174.87 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.65 -0.656 . . . . 25.0 111.928 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -93.45 132.43 37.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.92 -1.511 . . . . 25.0 106.92 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -134.7 161.86 33.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 176.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 m -125.78 174.9 8.0 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 121.191 0.519 . . . . 25.0 110.558 -177.52 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -29.94 66.39 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.173 0.511 . . . . 25.0 111.823 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.358 0.599 . . . . 25.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.99 -41.28 71.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.533 -0.914 . . . . 25.0 108.533 177.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.67 -33.05 69.7 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.94 -33.53 68.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 118.709 0.686 . . . . 25.0 112.529 175.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -70.19 -20.9 63.09 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.721 -0.612 . . . . 25.0 110.358 -178.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -87.64 -7.12 57.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.944 0.402 . . . . 25.0 111.001 178.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 t -92.09 -44.89 8.58 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.252 1.025 . . . . 25.0 108.524 177.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 123.864 1.792 . . . . 25.0 113.567 177.213 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p -133.98 140.41 46.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 174.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.52 119.59 22.03 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 107.768 -1.197 . . . . 25.0 107.768 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -162.38 177.5 9.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.74 -1.948 . . . . 25.0 105.74 -175.275 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -70.27 129.07 38.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.876 -1.157 . . . . 25.0 107.876 175.051 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt -133.35 133.15 42.12 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 -175.375 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.12 164.17 35.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -176.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.54 -136.88 31.41 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 115.441 0.937 . . . . 25.0 115.441 175.136 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.8 p -60.9 -30.29 70.09 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.339 -0.506 . . . . 25.0 112.168 178.048 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -38.22 86.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.728 -0.608 . . . . 25.0 110.044 177.31 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -45.66 87.01 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.552 -0.294 . . . . 25.0 110.49 174.452 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.51 -44.21 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.13 -45.53 90.68 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 121.331 -0.855 . . . . 25.0 112.001 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.21 95.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.399 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -37.02 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.035 0.445 . . . . 25.0 110.582 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.52 -39.27 85.09 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 122.059 -0.401 . . . . 25.0 110.753 177.375 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.01 -41.45 82.18 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.163 -0.961 . . . . 25.0 110.157 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.95 -36.7 25.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.94 -34.96 2.73 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.58 2.067 . . . . 25.0 116.58 -174.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.8 -34.0 88.51 Favored Glycine 0 C--O 1.219 -0.808 0 C-N-CA 119.653 -1.261 . . . . 25.0 111.791 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.07 -13.47 60.85 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.897 0.702 . . . . 25.0 112.897 175.773 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -87.15 -39.57 15.4 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 177.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.36 135.15 4.07 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 109.135 -1.586 . . . . 25.0 109.135 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.89 81.22 1.58 Allowed Glycine 0 C--O 1.221 -0.68 0 N-CA-C 110.905 -0.878 . . . . 25.0 110.905 -178.199 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -138.03 150.24 46.76 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.819 -0.812 . . . . 25.0 109.476 -179.162 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -97.09 -8.5 30.09 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -171.708 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -81.82 84.02 1.98 Allowed 'Trans proline' 0 C--N 1.4 3.288 0 C-N-CA 122.075 1.85 . . . . 25.0 112.315 176.556 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.211 -0.954 0 CA-C-O 124.996 2.332 . . . . 25.0 113.166 -179.8 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 122.818 1.232 . . . . 25.0 114.213 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.3 tp -53.82 -31.74 20.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 C-N-CA 123.97 0.908 . . . . 25.0 112.625 -178.844 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.98 -46.48 91.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 121.01 -0.276 . . . . 25.0 110.92 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.54 -25.24 53.9 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 120.799 -1.188 . . . . 25.0 110.928 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.67 -42.45 74.16 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.345 -0.222 . . . . 25.0 111.426 178.204 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -110.4 -39.43 4.94 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.983 1.846 . . . . 25.0 115.983 -174.518 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.59 -26.59 45.51 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 -176.655 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -100.23 -53.5 3.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.352 0.408 . . . . 25.0 111.104 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -106.93 -172.97 2.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.985 0.421 . . . . 25.0 111.16 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -89.92 138.58 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.244 -1.391 . . . . 25.0 107.244 177.452 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -132.61 150.75 52.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.368 0.604 . . . . 25.0 110.358 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.4 p -115.32 166.13 12.2 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.035 -0.53 . . . . 25.0 110.64 -175.129 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -55.4 -36.82 66.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.56 0.695 . . . . 25.0 111.54 178.136 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.42 -40.79 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.97 0.891 . . . . 25.0 110.791 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -79.76 -40.33 28.98 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.561 -0.712 . . . . 25.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.448 HD12 ' HG ' ' B' ' 15' ' ' LEU . 3.6 mm? -56.8 -34.73 67.95 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.728 0.411 . . . . 25.0 111.506 -178.285 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.44 -28.36 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 177.094 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -71.41 -13.15 61.75 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.18 0.514 . . . . 25.0 111.005 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -99.51 6.44 45.88 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.477 0.656 . . . . 25.0 110.257 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -111.78 -46.67 3.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.29 -1.323 . . . . 25.0 107.675 177.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.3 t30 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 125.367 2.508 . . . . 25.0 111.503 179.346 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 124.343 2.021 . . . . 25.0 114.179 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t -124.58 137.15 58.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 114.083 -1.417 . . . . 25.0 107.583 177.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -76.11 130.56 38.49 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -170.4 -178.37 2.7 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.05 -1.463 . . . . 25.0 107.05 -172.413 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -80.81 134.01 35.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.86 -1.533 . . . . 25.0 106.86 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mt -141.41 140.75 33.71 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -177.402 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t -154.16 167.85 28.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 119.306 -0.378 . . . . 25.0 110.153 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.07 -142.82 30.83 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-O 122.265 0.925 . . . . 25.0 113.377 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -62.21 -24.99 67.54 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.361 -0.494 . . . . 25.0 111.397 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -69.87 -33.93 72.9 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 120.835 -1.166 . . . . 25.0 110.085 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -43.37 82.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 173.257 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.77 -41.31 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 178.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.82 -41.93 99.51 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 121.956 0.102 . . . . 25.0 111.002 178.744 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.23 89.88 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.77 -0.581 . . . . 25.0 110.803 178.653 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.448 ' HG ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -61.25 -36.94 81.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.093 0.473 . . . . 25.0 109.938 177.335 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.93 -42.31 81.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.757 -0.589 . . . . 25.0 111.574 176.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 -39.7 89.98 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.303 -0.873 . . . . 25.0 110.714 -177.495 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.36 -33.43 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -179.49 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.53 -22.42 1.93 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 117.518 2.414 . . . . 25.0 117.518 -172.45 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -65.12 -37.15 93.79 Favored Glycine 0 C--O 1.223 -0.567 0 C-N-CA 119.771 -1.204 . . . . 25.0 111.582 176.77 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.27 0.12 38.33 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 122.212 -0.581 . . . . 25.0 111.884 175.1 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -115.03 -20.64 10.41 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 -174.16 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.26 134.83 4.97 Favored Glycine 0 C--O 1.225 -0.417 0 N-CA-C 111.056 -0.818 . . . . 25.0 111.056 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.55 26.38 6.88 Favored Glycine 0 C--O 1.215 -1.049 0 N-CA-C 114.991 0.757 . . . . 25.0 114.991 176.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.4 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 2.1 t80 -92.48 139.25 30.77 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 117.972 0.886 . . . . 25.0 112.175 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -105.51 -14.86 15.16 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -178.305 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -80.14 84.58 1.99 Allowed 'Trans proline' 0 C--N 1.393 2.87 0 C-N-CA 122.075 1.85 . . . . 25.0 112.698 176.231 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.499 1.991 0 CA-C-O 123.87 1.795 . . . . 25.0 112.209 -174.014 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 CA-C-O 123.504 1.613 . . . . 25.0 114.548 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 tp -57.41 -38.27 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.344 -1.68 . . . . 25.0 112.304 -172.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -69.83 -40.12 78.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.19 -3.21 41.46 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.57 0.581 . . . . 25.0 112.57 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -98.97 -54.32 3.02 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 171.075 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -84.11 -38.47 20.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 116.753 2.131 . . . . 25.0 116.753 -174.224 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.0 -13.24 53.77 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.41 -0.806 . . . . 25.0 109.212 -177.108 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 m -103.95 -45.03 4.87 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.361 0.601 . . . . 25.0 111.827 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -124.91 -172.82 2.66 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.334 -0.394 . . . . 25.0 110.377 -177.219 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.28 136.56 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.502 -1.666 . . . . 25.0 106.502 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -132.1 146.73 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.067 0.46 . . . . 25.0 110.434 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.8 m -113.13 160.82 17.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.044 -0.98 . . . . 25.0 109.13 -178.067 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -56.59 -31.45 64.27 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.73 -45.48 94.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.857 0.837 . . . . 25.0 110.372 179.111 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.21 -39.4 68.59 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.47 -37.57 65.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.17 -28.71 59.14 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 114.082 1.141 . . . . 25.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -70.21 -20.45 63.1 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.546 -178.273 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -85.33 -6.12 59.26 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.337 0.589 . . . . 25.0 110.81 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 m -84.38 -7.88 59.16 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 178.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 m120 . . . . . 0 C--O 1.217 -0.624 0 CA-C-O 125.31 2.481 . . . . 25.0 109.574 172.462 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 123.097 1.427 . . . . 25.0 113.783 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p -126.74 143.68 39.4 Favored 'Isoleucine or valine' 0 C--O 1.249 1.027 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 173.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -74.59 117.94 16.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.753 -0.832 . . . . 25.0 108.753 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -157.83 -179.78 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.934 -1.136 . . . . 25.0 107.934 -172.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -75.52 105.18 6.42 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.4 mt -103.26 137.52 41.29 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.61 165.53 34.03 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.862 0.363 . . . . 25.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.31 -140.3 28.53 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 115.709 1.043 . . . . 25.0 115.709 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -29.66 70.2 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.813 0.34 . . . . 25.0 111.462 179.568 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -65.91 -38.49 88.84 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.833 -0.542 . . . . 25.0 109.695 176.647 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -43.67 96.52 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 122.037 -0.414 . . . . 25.0 110.024 174.842 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.6 t -62.5 -41.78 93.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 119.675 -0.81 . . . . 25.0 110.632 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.06 -42.55 99.31 Favored 'General case' 0 C--O 1.208 -1.132 0 O-C-N 121.565 -0.709 . . . . 25.0 111.495 176.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.16 90.75 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.399 -179.124 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.87 -38.98 90.29 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.846 0.355 . . . . 25.0 111.631 177.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.25 -42.64 99.21 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.02 -0.425 . . . . 25.0 111.272 176.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -68.76 -39.74 80.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.841 -0.744 . . . . 25.0 110.852 -176.04 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -81.68 -33.61 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -125.61 -30.25 3.09 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.221 1.934 . . . . 25.0 116.221 -174.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.76 -28.21 73.66 Favored Glycine 0 C--O 1.223 -0.544 0 O-C-N 120.885 -1.134 . . . . 25.0 111.423 178.546 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -96.37 10.51 37.86 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.198 0.523 . . . . 25.0 110.528 177.218 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -113.24 -48.83 2.94 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.22 0.533 . . . . 25.0 110.875 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.01 68.42 0.07 OUTLIER Glycine 0 C--O 1.21 -1.357 0 CA-C-N 114.925 -1.034 . . . . 25.0 111.433 -175.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.19 86.94 0.06 OUTLIER Glycine 0 C--O 1.219 -0.842 0 N-CA-C 110.299 -1.12 . . . . 25.0 110.299 -179.323 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -152.0 152.54 32.58 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 -176.275 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -117.37 -3.83 11.39 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.522 0.514 . . . . 25.0 111.6 -177.61 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.88 75.74 4.65 Favored 'Trans proline' 0 C--N 1.402 3.364 0 C-N-CA 121.343 1.362 . . . . 25.0 113.526 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 42.4 p . . . . . 0 N--CA 1.495 1.808 0 C-N-CA 125.426 1.491 . . . . 25.0 111.107 178.646 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 123.074 1.375 . . . . 25.0 115.086 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp -57.5 -33.57 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.156 -1.203 . . . . 25.0 112.092 -177.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.27 -43.3 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 121.71 -0.619 . . . . 25.0 110.302 178.177 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -72.33 -20.66 61.45 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 121.773 -0.579 . . . . 25.0 111.905 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -91.42 -36.26 13.89 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.364 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.14 -36.6 6.52 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 115.374 1.62 . . . . 25.0 115.374 -176.073 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.5 m -80.31 -48.82 12.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 179.53 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m -72.68 -47.81 44.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.863 0.69 . . . . 25.0 112.863 -177.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -112.72 -178.92 3.51 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 121.806 -0.559 . . . . 25.0 110.941 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -86.99 131.1 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -130.18 160.64 33.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 25.0 109.808 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.2 p -129.38 170.65 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.951 -173.153 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -58.24 -33.04 68.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.103 0.477 . . . . 25.0 111.457 177.495 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 -42.83 99.29 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.079 -0.51 . . . . 25.0 110.737 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -69.1 -46.25 68.18 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.519 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 4.1 mp -56.42 -34.46 66.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -175.053 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.49 -33.64 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 25.0 111.719 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -71.21 -19.26 62.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.713 -0.617 . . . . 25.0 111.596 -178.427 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.451 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 94.5 m-85 -88.29 -6.62 57.66 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 178.318 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.3 t -91.26 -46.38 8.09 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.929 -1.138 . . . . 25.0 107.929 177.478 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 . . . . . 0 C--O 1.21 -1.018 0 CA-C-O 122.909 1.337 . . . . 25.0 112.853 175.266 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 123.054 1.407 . . . . 25.0 114.499 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -115.2 142.38 28.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 N-CA-C 107.551 -1.278 . . . . 25.0 107.551 173.385 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -72.63 139.86 47.63 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.196 -1.039 . . . . 25.0 108.196 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.66 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 -172.552 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.93 97.22 6.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 171.212 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.48 134.97 34.19 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -149.31 161.97 40.99 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.804 -0.358 . . . . 25.0 111.067 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.96 -137.98 27.02 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.876 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -59.75 -32.26 70.41 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.465 -0.368 . . . . 25.0 111.247 179.381 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -63.47 -38.87 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.035 -0.415 . . . . 25.0 110.539 176.574 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -46.04 87.26 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.761 -0.459 . . . . 25.0 109.761 175.103 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.42 -41.72 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 120.27 -0.572 . . . . 25.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -61.44 -41.83 97.8 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.268 0.227 . . . . 25.0 110.591 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.83 97.34 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.016 -0.428 . . . . 25.0 110.55 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.13 -35.15 80.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.727 0.299 . . . . 25.0 110.856 177.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.44 -43.44 85.61 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.908 -0.495 . . . . 25.0 110.359 176.421 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -67.19 -40.53 86.53 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.697 -176.27 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -79.57 -35.03 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.976 -0.69 . . . . 25.0 112.71 -179.67 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.5 -32.46 1.52 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.831 2.53 . . . . 25.0 117.831 -176.234 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' GLY . . . . . 0.483 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -58.65 -44.2 95.8 Favored Glycine 0 CA--C 1.508 -0.371 0 C-N-CA 120.643 -0.789 . . . . 25.0 112.29 -177.976 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -78.72 13.1 1.78 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.906 0.706 . . . . 25.0 112.906 178.501 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.86 1.6 37.2 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.946 0.403 . . . . 25.0 110.409 172.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.92 29.72 30.91 Favored Glycine 0 C--O 1.226 -0.375 0 CA-C-N 115.73 -0.668 . . . . 25.0 114.683 177.595 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.44 -126.27 3.35 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 108.317 -1.913 . . . . 25.0 108.317 176.701 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' PHE . . . . . 0.483 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 1.3 t80 71.77 173.18 0.31 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.168 1.914 . . . . 25.0 116.168 170.647 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -123.2 -2.25 8.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.22 -175.67 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.46 79.75 3.28 Favored 'Trans proline' 0 C--N 1.399 3.212 0 C-N-CA 121.718 1.612 . . . . 25.0 112.806 175.841 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 124.493 2.092 . . . . 25.0 112.026 -179.187 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.567 0 CA-C-O 123.972 1.873 . . . . 25.0 114.811 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 tp -52.79 -34.54 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 120.864 -1.374 . . . . 25.0 113.165 -175.729 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.65 -46.67 85.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.107 -0.996 . . . . 25.0 109.146 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.35 -14.12 60.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.146 -0.479 . . . . 25.0 112.269 -175.626 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -99.09 -37.17 9.44 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 120.925 0.393 . . . . 25.0 111.465 176.714 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -109.36 -30.06 8.16 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 115.694 1.738 . . . . 25.0 115.694 -170.61 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.6 m -82.0 -49.58 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.502 -2.036 . . . . 25.0 105.502 174.587 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -70.93 -43.7 67.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -177.652 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.13 -178.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.833 -0.542 . . . . 25.0 111.083 -177.271 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -86.41 127.85 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -119.51 131.37 55.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.075 0.464 . . . . 25.0 110.656 -179.147 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -99.4 167.1 10.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 177.749 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pp -58.44 -32.48 68.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.778 0.323 . . . . 25.0 111.466 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.69 -39.19 90.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.565 0.698 . . . . 25.0 110.823 178.619 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -72.34 -42.66 65.11 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -31.33 69.85 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.448 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.5 -27.46 67.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.516 0.562 . . . . 25.0 112.516 176.365 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.91 -17.06 64.72 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.732 -0.605 . . . . 25.0 110.604 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -102.08 12.84 36.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.61 -177.307 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.0 m -59.27 -37.77 78.45 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.291 0.567 . . . . 25.0 110.045 173.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 N--CA 1.486 1.341 0 C-N-CA 125.659 1.584 . . . . 25.0 114.833 176.343 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.48 129.28 63.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 120.501 -1.375 . . . . 25.0 109.417 176.559 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -78.24 120.51 23.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.799 -1.091 . . . . 25.0 108.155 175.594 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -163.18 -179.77 6.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.554 -2.017 . . . . 25.0 105.554 -174.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -73.69 124.47 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 172.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.2 mt -128.88 137.76 51.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.706 -1.591 . . . . 25.0 106.706 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.82 167.17 27.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.44 -178.239 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -136.69 30.99 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 178.258 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -61.28 -32.55 72.38 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.638 -0.281 . . . . 25.0 111.178 -179.645 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -37.2 86.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.336 -0.545 . . . . 25.0 109.696 178.297 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -49.46 66.46 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.497 -0.481 . . . . 25.0 111.265 176.807 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.59 -30.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 119.252 -0.979 . . . . 25.0 109.766 -176.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.0 -46.23 88.64 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.693 -0.629 . . . . 25.0 110.677 172.023 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.12 97.74 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.362 -0.836 . . . . 25.0 109.406 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -34.97 79.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 179.52 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -68.46 -41.57 80.02 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 120.98 -0.288 . . . . 25.0 110.636 176.322 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.72 -39.84 91.6 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.577 -0.702 . . . . 25.0 110.934 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -84.33 -34.44 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -126.15 -32.34 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.845 1.794 . . . . 25.0 115.845 -172.169 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.23 78.58 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.354 -1.098 . . . . 25.0 110.354 178.611 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.65 25.9 1.39 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.201 0.6 . . . . 25.0 110.39 176.393 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -147.63 -46.59 0.17 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -173.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.49 -135.38 5.22 Favored Glycine 0 C--O 1.212 -1.244 0 N-CA-C 111.934 -0.466 . . . . 25.0 111.934 -178.13 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.65 -27.15 8.14 Favored Glycine 0 N--CA 1.461 0.328 0 N-CA-C 114.605 0.602 . . . . 25.0 114.605 -175.222 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.2 t80 60.57 -176.82 0.11 Allowed 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 123.505 0.722 . . . . 25.0 111.144 -178.487 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -139.43 -0.62 1.77 Allowed 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 112.851 0.686 . . . . 25.0 112.851 -178.271 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -80.17 75.57 4.98 Favored 'Trans proline' 0 C--N 1.389 2.683 0 C-N-CA 122.452 2.101 . . . . 25.0 113.181 -178.558 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 123.702 1.715 . . . . 25.0 111.499 -175.424 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.527 0 CA-C-O 123.521 1.623 . . . . 25.0 114.455 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.0 tp -59.97 -35.53 61.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 121.71 -0.876 . . . . 25.0 109.953 177.468 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.88 -34.72 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 O-C-N 121.713 -0.617 . . . . 25.0 110.31 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.43 -20.98 53.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.301 0.572 . . . . 25.0 110.119 -178.61 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -88.32 -39.02 14.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.579 0.585 . . . . 25.0 112.579 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.2 m -105.63 -32.71 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.456 2.021 . . . . 25.0 116.456 -174.804 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.1 -52.84 7.3 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.227 -1.768 . . . . 25.0 106.227 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -67.04 -45.29 77.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.896 -1.047 . . . . 25.0 113.113 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -120.51 -176.03 3.14 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -174.069 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.6 mm -91.57 134.83 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 177.872 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.28 146.86 51.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 176.75 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -110.84 168.61 9.35 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.116 -0.947 . . . . 25.0 109.089 -177.165 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.31 -32.15 62.22 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.009 -0.542 . . . . 25.0 112.411 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.42 -43.32 99.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.954 0.353 . . . . 25.0 111.954 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -70.64 -43.8 68.46 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 177.692 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' HB3' HG11 ' B' ' 18' ' ' VAL . 3.3 mm? -52.33 -40.28 61.73 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -178.689 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.95 -32.41 67.79 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 25.0 112.648 179.317 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -69.02 -20.77 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.406 0.548 . . . . 25.0 111.403 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -84.64 -5.2 59.3 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.297 0.57 . . . . 25.0 110.691 179.229 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.0 t -84.46 -35.81 22.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 178.239 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.546 0.821 0 CA-C-O 125.224 2.44 . . . . 25.0 112.152 174.562 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.7 t80 . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 123.104 1.43 . . . . 25.0 114.732 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.13 131.33 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 120.851 -1.156 . . . . 25.0 109.516 176.622 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -74.74 122.09 22.74 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.926 0.766 . . . . 25.0 109.333 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -163.6 173.46 12.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 -173.263 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -71.66 131.52 43.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 174.635 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -136.72 137.6 40.12 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 -176.781 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 163.08 38.17 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 -177.902 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.35 -136.51 11.84 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 116.865 1.506 . . . . 25.0 116.865 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -27.67 68.75 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 122.199 -0.589 . . . . 25.0 112.379 179.339 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -67.53 -37.74 83.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.596 -0.69 . . . . 25.0 109.433 176.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -44.06 90.35 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -36.64 78.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 120.86 -0.336 . . . . 25.0 111.037 -179.142 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.04 -43.9 97.85 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 175.083 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.73 94.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.828 178.706 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.05 -35.46 80.31 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.302 0.572 . . . . 25.0 109.913 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -68.66 -41.34 79.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.953 177.181 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.43 75.46 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.751 -0.593 . . . . 25.0 111.118 -177.78 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 16' ' ' LEU . 13.9 p -79.69 -32.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 113.445 0.906 . . . . 25.0 113.445 -178.348 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.89 -26.4 1.19 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.061 2.245 . . . . 25.0 117.061 -177.403 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.64 -39.31 96.38 Favored Glycine 0 C--O 1.213 -1.172 0 C-N-CA 119.952 -1.118 . . . . 25.0 111.538 179.062 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -82.12 12.68 4.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 177.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -138.39 -37.61 0.55 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.671 1.73 . . . . 25.0 115.671 -175.57 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.53 -16.18 9.67 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 116.323 1.289 . . . . 25.0 116.323 -173.381 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.7 -31.38 4.81 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 118.042 0.921 . . . . 25.0 115.012 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 62.73 179.46 0.14 Allowed 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 114.314 1.228 . . . . 25.0 114.314 177.748 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -127.58 -5.02 5.89 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.938 0.495 . . . . 25.0 111.383 -177.02 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.28 83.26 2.08 Favored 'Trans proline' 0 C--N 1.395 2.992 0 C-N-CA 122.743 2.295 . . . . 25.0 111.684 175.129 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 124.568 2.128 . . . . 25.0 110.878 177.874 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 CA-C-O 122.754 1.197 . . . . 25.0 114.698 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 tp -60.88 -31.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 O-C-N 121.361 -1.082 . . . . 25.0 111.905 -175.725 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.94 -45.66 83.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 O-C-N 121.495 -0.753 . . . . 25.0 109.97 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -68.29 -32.07 71.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.693 0.758 . . . . 25.0 111.82 -179.073 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -75.38 -44.09 46.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.768 -0.651 . . . . 25.0 110.944 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -108.16 -41.58 4.87 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 116.668 2.099 . . . . 25.0 116.668 -172.623 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.94 -45.49 57.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 -178.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -80.57 -46.47 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.435 -0.802 . . . . 25.0 112.218 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -114.7 178.79 4.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -174.942 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.3 mm -84.42 130.55 35.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 178.27 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -127.88 150.81 49.7 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.444 0.64 . . . . 25.0 109.601 175.843 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -112.64 168.66 9.48 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.255 -0.884 . . . . 25.0 110.721 -174.816 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -29.29 70.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.763 0.316 . . . . 25.0 110.957 -179.16 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.97 -44.08 93.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.74 0.781 . . . . 25.0 111.327 178.562 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -68.81 -43.44 75.59 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.788 -0.57 . . . . 25.0 110.195 176.02 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.7 mm? -55.58 -36.78 67.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.2 -30.54 70.48 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.63 -0.669 . . . . 25.0 112.304 177.585 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -73.25 -13.65 61.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.869 -0.519 . . . . 25.0 110.519 -177.217 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.3 -4.52 53.85 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.044 177.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.6 t -103.87 -41.15 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.73 0.776 . . . . 25.0 109.957 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 N--CA 1.445 -0.715 0 CA-C-O 125.154 2.407 . . . . 25.0 111.415 176.802 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 123.102 1.429 . . . . 25.0 114.624 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.4 145.63 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 171.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -73.45 132.93 43.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.988 -1.116 . . . . 25.0 107.988 -177.733 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -166.11 -178.53 4.68 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 -173.832 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.99 136.64 36.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 170.955 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 mt -138.39 141.89 39.61 Favored 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 -178.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.33 165.11 36.8 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.76 -132.41 22.58 Favored Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.72 1.048 . . . . 25.0 115.72 177.828 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -62.81 -30.61 71.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.041 -0.579 . . . . 25.0 111.692 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -70.6 -33.59 71.21 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.161 -0.962 . . . . 25.0 109.594 177.56 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -46.33 79.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 121.014 -0.274 . . . . 25.0 110.296 175.853 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.73 -28.52 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 118.603 -1.239 . . . . 25.0 110.666 -178.625 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -65.59 -40.72 93.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.476 -0.329 . . . . 25.0 110.731 172.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.0 93.0 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.589 -0.694 . . . . 25.0 110.272 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.23 -38.36 79.8 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.33 177.402 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -67.02 -44.79 79.4 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.935 -0.478 . . . . 25.0 111.27 177.675 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.16 -38.17 85.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.921 -0.487 . . . . 25.0 111.104 -176.027 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 16' ' ' LEU . 9.5 p -82.51 -33.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 114.102 1.149 . . . . 25.0 114.102 -179.867 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -125.33 -40.09 2.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.714 2.116 . . . . 25.0 116.714 -177.685 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.31 -37.49 93.15 Favored Glycine 0 C--O 1.215 -1.068 0 C-N-CA 120.702 -0.761 . . . . 25.0 114.365 -176.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -69.1 -12.06 61.34 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.814 -0.815 . . . . 25.0 112.485 178.82 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -86.0 -18.72 31.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.31 14.19 7.8 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 116.34 1.296 . . . . 25.0 116.34 175.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.99 -118.33 4.31 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 110.348 -1.101 . . . . 25.0 110.348 176.677 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 74.48 166.78 0.29 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 117.311 2.337 . . . . 25.0 117.311 172.228 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -135.0 -6.1 2.38 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.452 -0.795 . . . . 25.0 112.541 -174.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.21 83.03 2.29 Favored 'Trans proline' 0 C--N 1.409 3.754 0 C-N-CA 122.09 1.86 . . . . 25.0 113.553 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 124.433 2.063 . . . . 25.0 111.345 -179.664 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.635 0 N-CA-C 116.936 1.534 . . . . 25.0 116.936 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp -52.97 -38.66 29.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 O-C-N 121.525 -0.985 . . . . 25.0 112.683 -177.504 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.1 -42.71 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 O-C-N 120.899 -1.125 . . . . 25.0 111.123 -177.546 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -70.0 -27.57 64.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.369 0.605 . . . . 25.0 110.141 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -84.3 -35.02 23.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -109.09 -36.9 5.94 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 116.531 2.048 . . . . 25.0 116.531 -177.53 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 t -81.88 -24.23 35.86 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.792 -1.192 . . . . 25.0 108.93 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -104.72 -48.25 3.83 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.743 -0.662 . . . . 25.0 112.275 177.761 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -108.17 -177.6 3.37 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.775 0.798 . . . . 25.0 111.615 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.88 137.1 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 105.519 -2.03 . . . . 25.0 105.519 174.287 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -135.11 153.44 52.01 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 174.381 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -119.58 171.52 8.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -34.69 63.68 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 123.619 0.575 . . . . 25.0 110.413 -178.552 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -59.67 -50.13 75.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.813 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -65.71 -43.31 89.49 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.92 -38.3 70.09 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -178.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.57 -24.56 65.53 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 176.902 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.11 -17.83 64.96 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.071 0.85 . . . . 25.0 110.382 175.676 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -105.15 17.95 23.18 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.835 0.854 . . . . 25.0 110.737 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.13 -32.78 73.41 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 123.059 1.409 . . . . 25.0 108.343 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 N--CA 1.488 1.432 0 C-N-CA 126.743 2.017 . . . . 25.0 115.492 174.314 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 122.84 1.305 . . . . 25.0 114.499 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -130.4 143.74 40.07 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 O-C-N 121.149 -0.969 . . . . 25.0 108.845 178.382 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -81.0 128.38 33.63 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.705 -0.68 . . . . 25.0 110.6 -176.569 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -164.8 176.57 8.64 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 -174.499 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.35 136.66 38.47 Favored 'General case' 0 C--O 1.192 -1.928 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 173.276 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -137.8 139.91 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 -177.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -150.96 168.05 25.73 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 179.614 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.3 -139.29 30.44 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -63.1 -27.58 69.49 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 122.13 -0.63 . . . . 25.0 112.415 178.855 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -69.83 -33.09 71.84 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.292 0.496 . . . . 25.0 109.863 176.833 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -44.64 80.12 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 107.674 -1.232 . . . . 25.0 107.674 174.583 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.1 -42.6 90.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 120.304 -0.558 . . . . 25.0 110.207 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.37 -46.06 83.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 176.224 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.07 96.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.181 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.37 -37.49 85.92 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.303 0.377 . . . . 25.0 111.989 177.023 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -64.06 -45.63 87.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.875 -0.148 . . . . 25.0 110.884 174.621 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.04 -38.02 87.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.754 -0.591 . . . . 25.0 111.304 -175.627 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.65 -35.86 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.19 -29.41 2.75 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.573 1.694 . . . . 25.0 115.573 -175.267 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 -27.73 72.89 Favored Glycine 0 C--N 1.315 -0.597 0 C-N-CA 120.702 -0.761 . . . . 25.0 111.281 175.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -93.9 21.81 6.27 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 175.387 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -123.81 -63.37 1.23 Allowed 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 175.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.61 84.73 0.05 OUTLIER Glycine 0 CA--C 1.506 -0.481 0 CA-C-N 115.48 -0.782 . . . . 25.0 111.344 -178.275 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.07 113.6 0.9 Allowed Glycine 0 CA--C 1.518 0.229 0 N-CA-C 111.203 -0.759 . . . . 25.0 111.203 -177.104 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -158.66 163.31 37.0 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 178.338 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -123.74 -0.71 8.52 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.165 0.916 . . . . 25.0 112.946 -173.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -77.43 83.81 2.08 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 120.39 0.727 . . . . 25.0 113.09 179.748 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 124.306 2.003 . . . . 25.0 109.751 -177.523 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.569 0 CA-C-O 123.34 1.522 . . . . 25.0 115.255 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.94 -32.68 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 120.044 -1.856 . . . . 25.0 112.567 -173.293 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.52 -44.31 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 121.015 -1.053 . . . . 25.0 109.194 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -64.03 -32.03 73.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.693 -0.685 . . . . 25.0 110.647 -178.107 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -85.01 -40.57 16.72 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.519 0.933 . . . . 25.0 113.519 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.3 m -102.44 -39.15 7.26 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.777 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.7 m -78.25 -53.61 7.14 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 -178.762 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -71.5 -44.24 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.539 -179.084 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -116.49 -175.33 2.73 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.131 -0.355 . . . . 25.0 111.414 -176.443 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -89.08 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.028 -1.471 . . . . 25.0 107.028 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -133.33 152.75 51.94 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.245 0.831 . . . . 25.0 113.245 174.154 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -118.28 168.17 10.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.011 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -60.8 -32.44 71.8 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.003 -0.436 . . . . 25.0 111.939 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -61.43 -43.24 99.21 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 121.805 0.812 . . . . 25.0 110.077 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -71.06 -43.22 68.23 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.929 -0.482 . . . . 25.0 109.748 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 5.8 mt -56.11 -37.05 68.89 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -179.47 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.72 -31.86 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.673 -0.642 . . . . 25.0 112.695 175.315 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.65 -18.9 62.16 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.603 -1.311 . . . . 25.0 110.653 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 99.5 m-85 -86.61 -2.45 58.51 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.908 0.861 . . . . 25.0 110.689 177.226 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.1 t -85.58 -12.14 52.28 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 177.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.204 -1.307 0 CA-C-O 123.486 1.613 . . . . 25.0 110.633 177.116 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 123.537 1.637 . . . . 25.0 114.901 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.99 138.45 52.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 107.153 -1.425 . . . . 25.0 107.153 176.474 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -77.01 131.13 38.29 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -166.95 -178.54 4.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 -174.943 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -78.15 135.62 37.69 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 172.661 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.4 mt -139.55 145.32 38.5 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -153.37 169.36 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.98 -143.89 13.64 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 122.255 0.919 . . . . 25.0 114.958 179.463 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.26 -26.57 65.03 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -38.66 87.85 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.086 0.469 . . . . 25.0 110.488 176.049 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -45.39 85.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 25.0 108.879 175.411 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.35 -41.8 88.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.979 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 179.209 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -60.76 -45.1 95.63 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 121.696 -0.627 . . . . 25.0 111.261 178.015 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.46 96.18 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.691 -0.404 . . . . 25.0 111.266 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -37.11 85.9 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.316 0.579 . . . . 25.0 109.727 178.53 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -65.64 -44.8 85.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 122.054 -0.404 . . . . 25.0 110.937 176.566 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.12 -40.81 95.0 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.171 -0.611 . . . . 25.0 111.05 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -75.43 -40.35 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 119.59 -0.844 . . . . 25.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.33 -23.04 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.08 2.622 . . . . 25.0 118.08 -171.709 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.43 -33.63 87.77 Favored Glycine 0 C--O 1.221 -0.716 0 N-CA-C 109.571 -1.411 . . . . 25.0 109.571 176.301 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -81.6 10.49 5.89 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 175.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.3 -43.19 3.38 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 174.764 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.62 33.7 0.38 Allowed Glycine 0 C--O 1.216 -1.023 0 N-CA-C 117.154 1.622 . . . . 25.0 117.154 175.532 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.24 51.99 0.78 Allowed Glycine 0 N--CA 1.465 0.586 0 CA-C-N 118.439 1.119 . . . . 25.0 111.824 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -107.04 142.27 36.95 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.968 -0.724 . . . . 25.0 112.733 -175.324 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -100.29 -5.24 27.76 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 123.384 0.674 . . . . 25.0 111.509 -179.024 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -78.57 83.66 2.19 Favored 'Trans proline' 0 C--N 1.399 3.2 0 C-N-CA 121.78 1.653 . . . . 25.0 112.78 176.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 123.896 1.808 . . . . 25.0 112.641 -176.065 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.051 0 N-CA-C 114.779 0.671 . . . . 25.0 114.779 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 tp -174.69 -46.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.394 0 C-N-CA 125.382 1.473 . . . . 25.0 111.59 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.52 -39.39 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 O-C-N 120.48 -1.388 . . . . 25.0 110.021 -175.513 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.87 2.5 14.43 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.605 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -115.79 -37.62 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.369 0.604 . . . . 25.0 111.982 174.889 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -98.14 -22.34 16.26 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t -98.93 -54.39 3.01 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 m -63.53 -35.3 80.04 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.193 -0.912 . . . . 25.0 111.914 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -127.93 -173.86 3.05 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.243 -0.91 . . . . 25.0 109.655 177.008 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 mm -91.75 137.73 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.18 165.09 26.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.165 -1.42 . . . . 25.0 107.165 172.242 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -126.55 173.7 9.23 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -176.948 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.56 -32.99 43.74 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 113.018 0.748 . . . . 25.0 113.018 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.16 -40.21 95.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.073 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.83 -45.87 48.64 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.496 -0.927 . . . . 25.0 108.496 178.73 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' HG ' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -54.04 -39.4 66.17 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -178.081 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.62 -35.09 71.94 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 117.558 0.163 . . . . 25.0 111.066 179.074 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -69.34 -21.91 63.79 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.934 -1.103 . . . . 25.0 112.666 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -87.71 -10.94 49.71 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 178.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.8 t -80.86 -39.91 25.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.065 0.936 . . . . 25.0 108.594 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 C--O 1.218 -0.602 0 CA-C-O 127.433 3.492 . . . . 25.0 112.611 -175.614 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.8 t80 . . . . . 0 N--CA 1.509 2.498 0 CA-C-O 123.314 1.53 . . . . 25.0 114.375 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.87 130.05 53.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 O-C-N 121.186 -0.947 . . . . 25.0 108.964 178.595 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -73.87 127.24 32.33 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.001 -1.481 . . . . 25.0 107.001 175.448 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -167.35 -179.52 4.52 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 -171.052 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -77.84 128.11 33.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 173.104 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.14 137.14 46.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.8 161.32 38.4 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.783 -0.451 . . . . 25.0 109.783 -177.777 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.97 -135.2 16.39 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 116.173 1.229 . . . . 25.0 116.173 176.272 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -61.49 -29.03 69.72 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 118.476 -0.773 . . . . 25.0 111.711 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.45 -39.08 93.14 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.382 0.537 . . . . 25.0 109.571 175.215 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -44.0 94.46 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.807 -0.558 . . . . 25.0 110.49 175.35 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.15 -42.01 93.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.962 0 N-CA-C 109.573 -0.528 . . . . 25.0 109.573 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.13 -43.23 95.83 Favored 'General case' 0 C--O 1.195 -1.797 0 C-N-CA 120.734 -0.386 . . . . 25.0 110.947 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.54 93.45 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 122.02 -0.425 . . . . 25.0 110.616 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.461 ' HG ' HD12 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -62.65 -38.29 89.72 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.581 0.705 . . . . 25.0 111.193 178.396 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -68.09 -42.1 80.86 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.798 -0.564 . . . . 25.0 111.31 179.564 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.09 -38.47 78.98 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.03 -1.043 . . . . 25.0 111.115 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -81.33 -35.66 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 119.655 -0.818 . . . . 25.0 113.115 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 t -125.9 -34.75 2.56 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 -172.138 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.76 -40.74 99.2 Favored Glycine 0 C--O 1.218 -0.872 0 C-N-CA 120.135 -1.031 . . . . 25.0 112.804 -175.729 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.02 -2.61 31.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 175.027 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -108.37 -24.05 11.62 Favored 'General case' 0 C--O 1.254 1.333 0 O-C-N 121.255 -0.903 . . . . 25.0 111.24 -179.775 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -124.04 -139.12 5.29 Favored Glycine 0 C--O 1.215 -1.046 0 N-CA-C 108.791 -1.723 . . . . 25.0 108.791 -178.775 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.29 -27.61 5.23 Favored Glycine 0 C--O 1.209 -1.438 0 C-N-CA 120.429 -0.891 . . . . 25.0 114.115 178.727 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.2 t80 65.17 175.0 0.21 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.478 1.288 . . . . 25.0 114.478 179.48 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -124.81 -6.0 7.43 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -174.199 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.02 72.23 6.62 Favored 'Trans proline' 0 C--N 1.394 2.927 0 C-N-CA 122.821 2.347 . . . . 25.0 112.374 -177.732 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.501 2.09 0 C-N-CA 126.073 1.749 . . . . 25.0 112.708 -171.764 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 CA--C 1.547 0.86 0 N-CA-C 114.413 1.264 . . . . 25.0 114.413 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.46 -45.61 81.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 121.528 -0.733 . . . . 25.0 109.975 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.6 -25.05 63.77 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.438 -0.346 . . . . 25.0 110.37 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -39.45 20.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.28 -36.02 5.7 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.416 2.006 . . . . 25.0 116.416 -173.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -75.82 -51.91 11.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.1 m -71.54 -48.66 47.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.128 1.159 . . . . 25.0 114.128 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -117.03 -177.43 3.2 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.973 -0.454 . . . . 25.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.11 134.44 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -132.87 166.48 22.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.9 t -137.9 170.86 15.32 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 -175.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -31.31 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.673 0.389 . . . . 25.0 111.372 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.01 -43.6 86.77 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.207 -0.451 . . . . 25.0 111.991 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -79.86 -37.83 34.05 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 121.028 -0.269 . . . . 25.0 110.814 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.97 -37.59 69.26 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 25.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.28 -26.03 68.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -71.67 -18.16 62.19 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.204 -0.935 . . . . 25.0 110.456 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 121.295 0.569 . . . . 25.0 109.75 178.407 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.222 -0.356 0 N-CA-C 107.327 -1.361 . . . . 25.0 107.327 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -77.7 125.73 29.78 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.425 -0.807 . . . . 25.0 110.1 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -164.52 177.64 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 -175.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.49 134.89 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 173.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 mt -138.34 138.64 38.51 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.85 166.11 31.54 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.232 -0.655 . . . . 25.0 109.232 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.39 -135.79 22.83 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 115.559 0.983 . . . . 25.0 115.559 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -62.41 -29.97 70.88 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.439 -0.448 . . . . 25.0 111.26 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -66.89 -37.06 83.67 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.12 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -46.31 85.47 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.122 174.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.45 -41.73 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 120.884 0.373 . . . . 25.0 110.001 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.15 -44.23 87.79 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.81 0.444 . . . . 25.0 111.776 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.31 94.99 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.14 -0.624 . . . . 25.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -37.85 87.86 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.467 0.48 . . . . 25.0 109.77 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.04 -44.43 84.61 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.97 -0.292 . . . . 25.0 111.545 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 mt -65.81 -40.52 91.94 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.618 -0.433 . . . . 25.0 110.948 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 119.785 -0.766 . . . . 25.0 112.473 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.48 -24.81 1.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 117.127 2.269 . . . . 25.0 117.127 -172.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.526 0 C-N-CA 119.331 -1.414 . . . . 25.0 110.816 176.77 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.449 HD13 ' CD2' ' A' ' 19' ' ' TYR . 4.6 tp . . . . . 0 CA--C 1.543 0.688 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.05 -43.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.545 -0.722 . . . . 25.0 110.32 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -74.84 -16.8 60.68 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.601 -0.687 . . . . 25.0 112.155 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -30.52 15.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -109.04 -41.82 4.6 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.614 1.339 . . . . 25.0 114.614 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -79.66 -26.33 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -101.09 -46.34 5.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.795 -0.638 . . . . 25.0 112.562 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -112.3 -177.12 3.08 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.893 -0.505 . . . . 25.0 110.293 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.7 mm -88.08 133.49 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.043 -1.466 . . . . 25.0 107.043 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.84 161.95 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -132.34 175.25 9.44 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.525 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.43 -50.36 73.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.786 -0.643 . . . . 25.0 111.375 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -68.8 -41.44 78.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 4.1 mp -55.99 -35.69 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.406 1.261 . . . . 25.0 114.406 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.1 -32.98 71.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.764 -0.374 . . . . 25.0 111.828 176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.6 -15.74 61.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.928 -0.483 . . . . 25.0 110.997 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CD2' HD13 ' A' ' 2' ' ' ILE . 49.0 m-85 . . . . . 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 25.0 110.512 176.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.236 0.387 0 N-CA-C 108.007 -1.108 . . . . 25.0 108.007 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -75.94 133.43 40.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.462 -1.311 . . . . 25.0 107.462 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -167.29 -179.29 4.44 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -81.23 134.37 35.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -135.29 139.84 44.68 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -151.0 163.02 39.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.34 -138.85 21.9 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.022 1.169 . . . . 25.0 116.022 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.49 -31.32 69.24 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.21 -0.495 . . . . 25.0 111.801 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -65.97 -36.53 83.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.527 -0.733 . . . . 25.0 110.611 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -44.48 86.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.4 -44.4 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 120.952 -0.299 . . . . 25.0 110.231 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -59.43 -43.08 93.17 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.665 -0.243 . . . . 25.0 111.245 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.18 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.796 -0.565 . . . . 25.0 111.176 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.48 -37.12 86.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.245 0.545 . . . . 25.0 111.087 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -66.21 -40.92 90.69 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.094 -0.379 . . . . 25.0 111.268 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 mt -68.57 -38.82 81.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.772 -0.58 . . . . 25.0 111.012 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.23 -38.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -123.16 -29.98 3.8 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 116.842 2.164 . . . . 25.0 116.842 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.032 0 N-CA-C 110.602 -0.999 . . . . 25.0 110.602 179.032 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 121.173 0.511 . . . . 25.0 110.811 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.3 t -56.57 -47.93 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -176.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.26 2.25 13.78 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.115 -0.99 . . . . 25.0 113.327 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -116.35 -24.98 7.68 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 m -111.71 -33.42 6.34 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.83 -49.41 12.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.7 m -75.87 -39.3 56.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -176.57 3.02 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.937 -0.477 . . . . 25.0 111.7 -177.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -96.31 132.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.01 153.99 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -115.32 175.55 5.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -32.45 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.545 0.528 . . . . 25.0 112.107 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.48 -43.96 97.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.456 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -69.56 -44.18 71.42 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 107.892 -1.151 . . . . 25.0 107.892 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.38 -39.53 60.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.66 -35.88 71.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -71.29 -18.84 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.119 -0.363 . . . . 25.0 111.063 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 . . . . . 0 C--O 1.216 -0.68 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 178.09 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.4 t . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 107.225 -1.398 . . . . 25.0 107.225 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -68.41 122.31 18.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -162.34 178.17 8.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.492 -1.299 . . . . 25.0 107.492 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -74.93 109.87 8.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -111.42 136.18 50.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 107.064 -1.458 . . . . 25.0 107.064 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -151.93 164.09 37.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.249 -0.432 . . . . 25.0 110.01 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.26 -135.15 32.37 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.481 0.952 . . . . 25.0 115.481 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -60.23 -31.73 70.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.836 -0.682 . . . . 25.0 110.289 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -69.52 -34.77 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.749 -0.594 . . . . 25.0 110.774 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.29 92.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 174.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.12 -43.88 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.71 -42.07 92.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.15 -0.344 . . . . 25.0 111.777 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.82 82.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.687 -0.405 . . . . 25.0 110.443 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -35.64 79.81 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.212 0.53 . . . . 25.0 109.711 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.65 -42.61 77.71 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.75 -38.52 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.711 -0.618 . . . . 25.0 111.927 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -82.59 -32.84 10.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -126.08 -35.38 2.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 114.452 1.278 . . . . 25.0 114.452 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.72 0 C-N-CA 119.839 -1.172 . . . . 25.0 112.674 179.714 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.477 HD11 HD22 ' B' ' 11' ' ' LEU . 20.3 tt . . . . . 0 C--O 1.218 -0.565 0 N-CA-C 112.885 0.698 . . . . 25.0 112.885 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.17 -48.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 121.211 -0.931 . . . . 25.0 109.302 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -66.23 -32.56 74.06 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.814 -0.554 . . . . 25.0 111.85 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -79.98 -38.61 31.85 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 114.038 1.125 . . . . 25.0 114.038 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -107.21 -42.02 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.984 1.476 . . . . 25.0 114.984 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.0 m -74.6 -56.26 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -73.24 -45.84 53.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.329 -0.85 . . . . 25.0 112.702 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -113.55 -172.5 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.62 131.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -129.63 161.78 29.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -120.53 167.98 11.83 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 -177.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.62 -31.91 62.68 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.02 -0.536 . . . . 25.0 111.699 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.254 0.55 . . . . 25.0 110.455 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.83 -39.91 66.19 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mp -57.11 -36.12 70.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.06 -30.91 71.31 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.835 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -71.92 -13.95 61.79 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.788 -0.57 . . . . 25.0 110.213 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.434 . . . . 25.0 110.583 178.251 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t . . . . . 0 CA--C 1.52 -0.197 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -70.3 126.49 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -164.76 174.49 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -173.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -74.12 131.21 41.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -137.54 140.97 41.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.11 167.69 28.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.332 -0.147 . . . . 25.0 110.651 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.29 -139.92 29.17 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 114.581 0.592 . . . . 25.0 114.581 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -28.22 68.87 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.463 -0.434 . . . . 25.0 111.925 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.65 -37.02 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.623 -0.673 . . . . 25.0 110.485 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.477 HD22 HD11 ' A' ' 2' ' ' ILE . 0.7 OUTLIER -63.96 -44.75 91.85 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 172.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.1 t -60.32 -43.23 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -61.99 -43.74 98.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 122.043 -0.411 . . . . 25.0 110.59 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.29 99.72 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -35.2 80.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 25.0 110.714 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.16 -42.47 84.24 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.123 -0.361 . . . . 25.0 111.101 175.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.79 -41.19 88.02 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.41 -0.806 . . . . 25.0 110.454 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.61 -32.53 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -122.94 -42.94 2.26 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.101 1.519 . . . . 25.0 115.101 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.707 0 C-N-CA 120.587 -0.816 . . . . 25.0 113.192 -179.195 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.406 HD13 ' CD2' ' A' ' 19' ' ' TYR . 6.6 tp . . . . . 0 N--CA 1.471 0.587 0 N-CA-C 112.734 0.642 . . . . 25.0 112.734 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.45 -45.19 89.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.851 -0.53 . . . . 25.0 110.665 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -74.98 -30.67 61.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.635 0.731 . . . . 25.0 110.543 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.01 -40.37 65.25 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.827 -0.546 . . . . 25.0 112.404 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.4 m -105.85 -39.41 6.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.824 1.787 . . . . 25.0 115.824 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -80.7 -53.78 6.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.8 m -70.21 -45.52 66.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.269 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -116.35 -175.61 2.79 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 122.042 -0.411 . . . . 25.0 111.603 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -88.71 138.66 18.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.93 159.3 42.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.305 0.574 . . . . 25.0 111.501 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -122.85 164.61 18.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.044 -0.98 . . . . 25.0 109.341 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.24 -30.95 66.94 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.85 -0.614 . . . . 25.0 111.252 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -60.43 -42.6 96.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.71 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -75.92 -38.6 57.51 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 2.4 mp -54.83 -39.21 68.31 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.68 -31.35 68.13 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.999 -0.68 . . . . 25.0 111.991 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.27 -20.07 62.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.314 -0.866 . . . . 25.0 111.036 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.456 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 83.2 m-85 . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.735 0.303 . . . . 25.0 110.322 176.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.24 0.566 0 N-CA-C 106.771 -1.566 . . . . 25.0 106.771 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -72.74 132.78 44.08 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -165.79 -179.11 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -173.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.45 133.68 35.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 171.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.46 137.04 39.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.48 162.24 39.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.64 -136.64 17.97 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.969 1.148 . . . . 25.0 115.969 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.8 p -60.63 -30.23 69.74 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.463 -0.434 . . . . 25.0 111.97 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -66.79 -35.93 81.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.964 -0.46 . . . . 25.0 110.463 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -44.13 82.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.702 -0.481 . . . . 25.0 109.702 174.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.9 t -61.7 -40.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -61.14 -44.01 97.99 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 122.078 -0.389 . . . . 25.0 110.645 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.18 99.45 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.224 -0.59 . . . . 25.0 111.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.64 -37.65 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.708 0.289 . . . . 25.0 111.14 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -65.09 -41.62 94.82 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.989 -0.445 . . . . 25.0 110.474 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.49 -41.66 88.6 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.858 -0.526 . . . . 25.0 110.414 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.61 -36.82 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -114.84 -39.19 3.76 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 116.348 1.981 . . . . 25.0 116.348 -172.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.232 0 N-CA-C 110.836 -0.906 . . . . 25.0 110.836 -179.522 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.497 HD11 HD22 ' B' ' 11' ' ' LEU . 18.3 tt . . . . . 0 C--O 1.22 -0.495 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -63.98 -44.67 97.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.193 -0.942 . . . . 25.0 109.912 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.68 -12.57 59.81 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.07 -1.019 . . . . 25.0 112.263 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.11 -28.56 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.6 m -114.25 -40.42 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.604 0.965 . . . . 25.0 113.604 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.03 -52.61 12.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -73.41 -43.87 59.59 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -118.13 -178.28 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.691 -0.631 . . . . 25.0 110.246 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -91.13 132.92 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -133.47 158.62 42.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -121.66 173.65 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.187 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.446 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.29 -27.7 56.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.015 0.436 . . . . 25.0 111.831 176.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.63 -47.58 85.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.607 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -72.4 -39.87 67.62 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB3' HG11 ' B' ' 18' ' ' VAL . 5.9 mp -60.1 -33.24 71.83 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.438 0.903 . . . . 25.0 113.438 -176.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.72 -33.12 71.21 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.479 -0.888 . . . . 25.0 111.285 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.76 -13.96 60.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.69 -0.631 . . . . 25.0 110.671 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 21.1 m-85 . . . . . 0 C--N 1.33 -0.264 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p . . . . . 0 C--O 1.239 0.514 0 CA-C-O 121.736 0.779 . . . . 25.0 109.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.39 127.82 33.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.385 -0.825 . . . . 25.0 110.269 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -163.93 176.61 9.26 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.854 -1.535 . . . . 25.0 106.854 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -73.72 132.32 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.7 mt -135.29 139.6 44.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.24 162.46 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -177.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.0 -137.93 16.73 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 115.529 0.972 . . . . 25.0 115.529 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -27.96 67.06 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -38.05 82.83 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.55 -0.719 . . . . 25.0 109.726 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 2' ' ' ILE . 0.6 OUTLIER -63.77 -44.78 92.4 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 174.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.73 -42.23 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.488 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -60.22 -45.63 92.54 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.331 -0.148 . . . . 25.0 110.616 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.74 98.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.526 -0.47 . . . . 25.0 110.766 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.33 -36.15 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 25.0 111.268 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.82 -40.58 88.07 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.171 -0.33 . . . . 25.0 110.672 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.8 mt -67.57 -41.49 84.09 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.546 -0.721 . . . . 25.0 110.157 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.425 HG11 ' HB3' ' A' ' 16' ' ' LEU . 12.9 p -79.84 -33.13 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -122.04 -32.86 3.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.435 2.383 . . . . 25.0 117.435 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.645 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 179.461 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 121.794 0.807 . . . . 25.0 111.214 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.38 -48.59 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.112 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -79.69 13.33 2.14 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -114.92 -45.55 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 25.0 109.991 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 m -93.83 -35.82 12.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.5 -26.75 38.0 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.4 m -96.81 -42.92 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.091 0.774 . . . . 25.0 113.091 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -115.81 -177.01 3.06 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.167 -0.333 . . . . 25.0 110.327 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.21 130.13 39.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -128.89 152.49 48.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.771 0.32 . . . . 25.0 110.352 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -121.19 168.73 11.27 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.56 -33.71 64.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.546 0.689 . . . . 25.0 112.064 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -57.89 -44.19 86.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 25.0 111.031 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -74.96 -41.12 60.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.484 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.6 mm? -52.52 -39.14 61.01 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.139 0.576 . . . . 25.0 111.478 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.77 -31.89 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.817 1.043 . . . . 25.0 113.817 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.17 -19.7 64.0 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.309 -0.869 . . . . 25.0 111.026 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.945 0.402 . . . . 25.0 109.935 -179.107 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.235 0.304 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -76.06 130.56 38.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.579 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -166.13 -179.66 5.24 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -80.27 79.67 6.81 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.401 0.438 . . . . 25.0 111.241 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -77.13 133.64 38.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 25.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -144.92 162.45 36.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.278 -0.419 . . . . 25.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.44 -136.34 27.07 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -30.26 69.82 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.341 -0.505 . . . . 25.0 111.262 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.44 87.19 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.938 -0.476 . . . . 25.0 109.741 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -43.44 94.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -41.91 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.901 -0.319 . . . . 25.0 110.357 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.25 -41.61 97.21 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 122.26 -0.275 . . . . 25.0 110.625 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.1 -46.2 88.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.43 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.95 -39.0 87.85 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.904 0.383 . . . . 25.0 110.111 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -65.4 -44.03 88.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.663 -0.244 . . . . 25.0 111.223 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.07 -39.62 78.99 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.1 -0.64 . . . . 25.0 111.826 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.484 HG11 ' HB3' ' A' ' 16' ' ' LEU . 11.7 p -79.49 -34.75 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 m -129.97 -35.86 1.6 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 115.196 1.554 . . . . 25.0 115.196 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.871 0 C-N-CA 120.485 -0.864 . . . . 25.0 112.211 -178.139 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.7 tt . . . . . 0 N--CA 1.469 0.487 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.84 -49.91 79.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.563 -0.71 . . . . 25.0 109.39 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.74 -26.18 61.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -87.52 -24.63 24.01 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.7 t -119.83 -40.63 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 t -78.18 -55.24 5.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -72.25 -42.69 65.37 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 m -112.71 -176.75 2.98 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.032 -0.417 . . . . 25.0 111.659 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.05 122.88 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -107.99 156.36 19.31 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.385 0.612 . . . . 25.0 110.36 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -123.87 159.42 29.67 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.114 -1.439 . . . . 25.0 107.114 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.45 -32.88 63.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.608 0.363 . . . . 25.0 111.91 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.53 -43.96 96.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 25.0 111.902 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -72.46 -37.06 68.61 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.95 -32.26 70.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.177 -0.609 . . . . 25.0 112.047 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.06 -35.3 73.11 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.851 -0.531 . . . . 25.0 111.226 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.21 -16.89 61.96 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.682 -0.636 . . . . 25.0 110.969 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 25.0 109.941 177.883 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 C--O 1.236 0.355 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -71.74 127.03 31.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.949 -0.569 . . . . 25.0 110.912 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -166.26 177.63 6.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -75.71 130.42 38.66 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.7 mt -136.57 140.24 42.75 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.91 165.78 30.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.65 -138.37 24.59 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.849 0.7 . . . . 25.0 114.849 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -59.54 -27.59 66.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -37.62 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.922 -0.486 . . . . 25.0 110.735 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -47.19 83.96 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.64 -42.68 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.288 -0.414 . . . . 25.0 110.525 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.77 -43.93 97.4 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 122.038 -0.413 . . . . 25.0 111.851 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.2 95.4 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -36.21 83.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.277 0.56 . . . . 25.0 109.888 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -65.72 -43.31 89.47 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.903 -0.498 . . . . 25.0 110.887 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.51 -41.63 92.94 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.649 -0.657 . . . . 25.0 110.903 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -77.81 -36.74 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 t -122.5 -40.64 2.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.831 1.419 . . . . 25.0 114.831 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.422 0 C-N-CA 120.378 -0.915 . . . . 25.0 112.262 -179.59 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt . . . . . 0 N--CA 1.471 0.607 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.08 -38.55 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 O-C-N 121.389 -0.82 . . . . 25.0 110.775 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.34 -28.14 61.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.161 0.505 . . . . 25.0 111.303 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.1 -37.88 21.46 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 112.875 0.694 . . . . 25.0 112.875 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -104.71 -42.21 5.45 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.9 1.445 . . . . 25.0 114.9 -174.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -76.88 -56.67 4.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 118.664 -1.214 . . . . 25.0 108.357 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -69.18 -43.68 73.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -116.32 -173.2 2.32 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.148 -0.345 . . . . 25.0 111.32 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -93.61 133.51 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.245 -1.391 . . . . 25.0 107.245 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -132.66 160.26 37.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.375 0.607 . . . . 25.0 110.123 175.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -116.07 166.89 11.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.223 -0.899 . . . . 25.0 110.585 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -28.12 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.544 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.68 -44.37 93.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.343 0.592 . . . . 25.0 110.318 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.02 -36.99 69.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.56 -39.56 76.96 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.553 -0.459 . . . . 25.0 111.43 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.09 -30.24 67.95 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.008 0.744 . . . . 25.0 113.008 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -72.52 -18.59 61.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.215 -0.928 . . . . 25.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 122.072 -0.393 . . . . 25.0 110.126 177.163 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--O 1.242 0.694 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.97 135.26 44.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.432 -1.321 . . . . 25.0 107.432 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -168.13 177.99 5.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.867 -1.531 . . . . 25.0 106.867 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -78.11 133.75 37.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -135.21 137.32 42.52 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.6 162.72 39.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.46 -138.95 16.63 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 115.716 1.047 . . . . 25.0 115.716 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -28.34 67.1 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.445 -0.378 . . . . 25.0 112.019 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -69.22 -36.41 77.2 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 122.079 -0.388 . . . . 25.0 110.529 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.76 -46.74 86.61 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.55 -38.47 82.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.79 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.7 -43.89 97.64 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.956 -0.465 . . . . 25.0 111.352 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.17 97.73 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.38 -36.82 83.47 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.471 -0.331 . . . . 25.0 110.636 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -65.68 -42.22 91.5 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.718 -0.614 . . . . 25.0 110.578 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.9 -38.6 86.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.281 -0.568 . . . . 25.0 110.857 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -83.83 -33.63 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -125.88 -26.94 3.38 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 115.467 1.655 . . . . 25.0 115.467 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.649 0 N-CA-C 109.39 -1.484 . . . . 25.0 109.39 178.068 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 114.251 1.204 . . . . 25.0 114.251 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -65.77 -44.77 93.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.399 -0.964 . . . . 25.0 108.399 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.26 -15.52 60.98 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.101 -0.5 . . . . 25.0 112.305 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -90.38 -39.64 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.03 -40.56 4.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -77.77 -17.08 57.91 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.027 -0.669 . . . . 25.0 109.743 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -106.96 -56.16 2.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.389 -0.368 . . . . 25.0 111.78 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -175.92 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.782 -0.574 . . . . 25.0 111.556 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mm -86.48 133.39 29.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -133.0 160.62 36.63 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -126.47 175.36 7.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 25.0 109.874 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.47 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -55.33 -32.68 62.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.512 -0.767 . . . . 25.0 111.706 177.436 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.73 -48.77 80.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.513 . . . . 25.0 111.363 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.73 -41.49 83.37 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 120.167 -0.613 . . . . 25.0 109.469 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.49 -35.8 72.78 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -61.45 -29.81 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.296 -0.561 . . . . 25.0 111.578 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -71.02 -17.1 62.64 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.432 -0.792 . . . . 25.0 110.485 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 . . . . . 0 C--O 1.223 -0.325 0 CA-C-O 121.217 0.532 . . . . 25.0 109.689 179.06 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.9 p . . . . . 0 C--O 1.236 0.362 0 N-CA-C 107.885 -1.154 . . . . 25.0 107.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -78.84 125.66 29.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -163.07 177.76 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 -174.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -76.21 134.38 39.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.4 mt -138.01 143.25 40.52 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.9 164.5 36.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.579 -0.282 . . . . 25.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.72 -140.08 16.21 Favored Glycine 0 C--O 1.221 -0.662 0 N-CA-C 116.351 1.3 . . . . 25.0 116.351 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -60.14 -26.72 66.5 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.484 -0.421 . . . . 25.0 111.846 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -38.49 81.16 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.874 -0.516 . . . . 25.0 110.17 176.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -44.67 94.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.96 -43.24 97.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.312 -0.403 . . . . 25.0 110.162 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.58 -45.15 95.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 118.149 0.431 . . . . 25.0 110.67 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.781 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.863 0.363 . . . . 25.0 111.32 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.79 -40.04 83.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.286 -0.258 . . . . 25.0 110.811 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -68.85 -38.52 79.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.056 -0.403 . . . . 25.0 111.307 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.55 -34.05 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 t -131.08 -23.71 2.43 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 116.74 2.126 . . . . 25.0 116.74 -172.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.875 0 C-N-CA 120.46 -0.876 . . . . 25.0 111.796 -179.457 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 113.047 0.758 . . . . 25.0 113.047 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.79 -44.51 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 O-C-N 121.901 -0.5 . . . . 25.0 111.102 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.71 -30.84 68.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.404 0.621 . . . . 25.0 111.273 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -77.4 -41.63 39.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.732 -0.667 . . . . 25.0 112.76 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.8 m -106.99 -38.48 6.02 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 116.158 1.91 . . . . 25.0 116.158 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -80.31 -53.1 6.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 m -72.26 -42.7 65.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.105 -0.952 . . . . 25.0 112.441 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -118.22 -173.17 2.4 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 120.7 0.286 . . . . 25.0 111.269 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.8 mm -94.94 133.44 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -135.17 160.5 38.17 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -127.29 177.39 6.74 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -30.96 64.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.665 0.386 . . . . 25.0 111.69 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -60.78 -46.29 91.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.365 0.602 . . . . 25.0 110.342 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -71.08 -42.85 68.84 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 107.694 -1.224 . . . . 25.0 107.694 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 2.5 mp -56.4 -36.75 69.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.4 1.259 . . . . 25.0 114.4 -176.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.34 -30.82 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -70.47 -15.6 62.83 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.849 -0.532 . . . . 25.0 111.096 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 90.6 m-85 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.521 0.677 . . . . 25.0 109.941 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.466 0.372 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -79.39 132.33 36.37 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -166.46 177.39 6.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.669 -1.604 . . . . 25.0 106.669 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -73.92 132.78 42.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.9 mt -135.12 131.85 37.37 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -144.78 161.9 38.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.726 . . . . 25.0 109.038 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.4 -136.94 21.17 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 116.141 1.216 . . . . 25.0 116.141 177.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -61.17 -29.71 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.483 -0.358 . . . . 25.0 111.784 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -41.44 97.91 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -44.97 88.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.389 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.77 -41.79 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 121.011 -0.276 . . . . 25.0 110.28 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -62.55 -41.21 98.76 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 122.012 -0.43 . . . . 25.0 111.544 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.32 93.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.661 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.16 -36.86 83.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.611 0.569 . . . . 25.0 110.998 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -66.13 -41.09 90.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.097 0.475 . . . . 25.0 111.698 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.61 -39.89 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.57 -0.706 . . . . 25.0 111.945 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.56 -36.83 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.83 -26.63 2.18 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 117.494 2.405 . . . . 25.0 117.494 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.546 0 C-N-CA 120.167 -1.016 . . . . 25.0 110.931 -177.737 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 CA--C 1.537 0.478 0 N-CA-C 112.305 0.483 . . . . 25.0 112.305 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.13 -46.98 86.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 121.656 -0.653 . . . . 25.0 110.474 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -72.01 -31.33 66.1 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.338 -0.851 . . . . 25.0 111.722 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -37.35 60.36 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.1 m -111.51 -40.72 4.28 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.1 m -74.91 -52.21 11.85 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -75.86 -43.6 44.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -116.08 -176.1 2.88 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.353 0.871 . . . . 25.0 113.353 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -91.41 130.72 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.504 -1.295 . . . . 25.0 107.504 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -129.7 155.6 45.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 m -118.45 162.52 18.19 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.874 -1.057 . . . . 25.0 109.879 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -33.99 58.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.759 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -58.83 -45.91 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.572 . . . . 25.0 111.956 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -76.26 -34.52 59.15 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 119.483 -0.887 . . . . 25.0 109.568 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 1.5 mp -54.95 -38.23 67.46 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -53.62 -36.5 62.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -67.99 -25.94 65.66 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.584 -0.697 . . . . 25.0 111.145 -177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.413 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 98.0 m-85 . . . . . 0 C--O 1.219 -0.528 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.236 0.379 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.92 136.28 43.31 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -167.9 178.69 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.245 -1.391 . . . . 25.0 107.245 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -77.54 134.89 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.162 -1.422 . . . . 25.0 107.162 171.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.9 mt -136.58 136.85 39.59 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -153.64 164.39 38.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.73 29.96 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 114.621 0.608 . . . . 25.0 114.621 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -30.27 69.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.587 -0.307 . . . . 25.0 111.528 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -64.21 -38.55 91.46 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.056 -0.403 . . . . 25.0 110.586 175.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -42.86 90.94 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.689 -0.485 . . . . 25.0 109.689 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.3 -43.5 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-O 120.79 0.329 . . . . 25.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -59.97 -44.28 94.57 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.842 0.353 . . . . 25.0 110.589 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.23 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 25.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.24 -37.72 88.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.466 . . . . 25.0 110.898 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -66.28 -40.86 90.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.009 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.2 -41.6 85.55 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.7 -0.625 . . . . 25.0 110.79 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 16' ' ' LEU . 12.3 p -79.61 -33.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 -177.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.44 -34.21 2.72 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.939 1.829 . . . . 25.0 115.939 -175.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -1.014 0 C-N-CA 120.344 -0.932 . . . . 25.0 112.413 -178.653 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.471 0.581 0 N-CA-C 112.627 0.603 . . . . 25.0 112.627 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.1 t -67.03 -43.0 89.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 121.866 -0.521 . . . . 25.0 109.802 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.92 -36.66 72.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.011 0.91 . . . . 25.0 109.62 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -67.03 -42.57 84.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.595 -0.73 . . . . 25.0 112.693 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -110.24 -35.26 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 116.071 1.878 . . . . 25.0 116.071 -173.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.74 -51.2 8.93 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -72.65 -48.86 35.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.686 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -114.24 -176.13 2.83 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.534 -0.729 . . . . 25.0 111.993 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.51 132.62 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.47 164.35 21.33 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -129.95 164.48 24.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.94 -33.7 64.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.103 0.477 . . . . 25.0 112.209 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.31 -45.26 91.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.948 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.0 -41.05 74.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.76 -35.85 69.12 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -56.83 -33.08 66.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -67.82 -18.72 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.532 -0.73 . . . . 25.0 111.401 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.127 -178.698 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--O 1.234 0.25 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -75.05 127.6 33.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.64 . . . . 25.0 109.76 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -164.27 177.58 8.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -77.37 136.14 38.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 172.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -137.77 139.04 39.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 164.7 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.02 -140.98 21.54 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 116.267 1.267 . . . . 25.0 116.267 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 p -60.52 -31.4 70.48 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.345 -0.428 . . . . 25.0 111.106 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -37.62 88.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.911 -0.493 . . . . 25.0 110.955 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -45.34 84.61 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.68 -42.08 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.17 -44.45 96.57 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 122.426 -0.171 . . . . 25.0 111.185 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.01 99.55 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.017 -0.427 . . . . 25.0 110.787 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.76 -38.46 90.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 25.0 110.994 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -65.19 -40.4 94.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.843 -0.535 . . . . 25.0 111.047 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.511 -0.743 . . . . 25.0 110.853 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -78.86 -35.95 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 m -120.26 -38.4 2.92 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 116.961 2.208 . . . . 25.0 116.961 -175.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.74 0 C-N-CA 120.462 -0.875 . . . . 25.0 112.14 -178.437 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.471 0.578 0 CA-C-O 121.463 0.649 . . . . 25.0 112.624 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.32 -46.66 89.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.137 -0.977 . . . . 25.0 110.444 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.2 -27.76 64.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.077 0.465 . . . . 25.0 111.12 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.44 -30.45 17.34 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 114.056 1.132 . . . . 25.0 114.056 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.7 m -109.78 -37.34 5.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.564 1.69 . . . . 25.0 115.564 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -79.78 -54.99 5.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.365 -1.717 . . . . 25.0 106.365 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -70.58 -44.56 67.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.598 -0.728 . . . . 25.0 112.529 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -114.69 -176.98 3.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.033 0.444 . . . . 25.0 112.027 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -91.54 132.4 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -129.51 150.99 50.61 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.1 t -110.1 161.78 15.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.448 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -55.01 -34.04 63.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.44 0.638 . . . . 25.0 111.161 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 25.0 111.575 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -78.71 -37.06 42.47 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.171 -0.442 . . . . 25.0 110.829 176.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.77 -37.47 63.48 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.557 0.617 . . . . 25.0 109.838 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.89 -33.35 68.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.66 -20.8 65.35 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.854 -0.529 . . . . 25.0 111.214 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 . . . . . 0 C--O 1.218 -0.583 0 CA-C-O 120.868 0.366 . . . . 25.0 110.872 -179.631 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -73.29 125.29 27.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -164.21 176.81 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -171.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -74.48 132.0 41.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.579 -0.897 . . . . 25.0 108.579 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -139.12 138.47 37.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.732 -0.84 . . . . 25.0 108.732 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.67 168.62 23.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.49 -141.9 37.77 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-O 122.406 1.004 . . . . 25.0 115.283 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -28.2 69.05 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 114.754 -0.723 . . . . 25.0 111.448 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -68.35 -36.91 79.94 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.612 -0.68 . . . . 25.0 109.86 176.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -44.28 92.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.147 -0.316 . . . . 25.0 110.147 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.6 -43.23 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.55 -44.73 89.77 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 122.131 -0.356 . . . . 25.0 110.733 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.48 89.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.582 -0.447 . . . . 25.0 110.269 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -36.22 82.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 25.0 111.262 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.38 -40.99 85.72 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.165 -0.334 . . . . 25.0 110.902 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -66.58 -41.73 88.07 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.651 -0.656 . . . . 25.0 110.899 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.82 -33.79 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.98 -32.64 2.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 116.016 1.858 . . . . 25.0 116.016 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.237 -0.982 . . . . 25.0 112.825 -177.516 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.481 HD11 HD22 ' B' ' 11' ' ' LEU . 17.7 tt . . . . . 0 N--CA 1.467 0.421 0 N-CA-C 112.04 0.385 . . . . 25.0 112.04 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.26 -45.05 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 121.406 -0.809 . . . . 25.0 109.015 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.26 -21.4 61.38 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 121.61 0.719 . . . . 25.0 112.523 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -90.68 -36.07 14.57 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.7 m -109.32 -41.07 4.74 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.0 -51.67 20.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m -75.37 -43.53 49.85 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -117.5 -176.05 2.94 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 -174.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mm -91.28 131.36 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.99 156.9 48.24 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -116.35 173.21 6.72 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.83 -30.73 64.04 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.813 -0.63 . . . . 25.0 111.428 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.01 -47.58 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.38 -39.81 81.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.12 -36.78 73.43 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.863 -0.523 . . . . 25.0 112.229 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.69 -30.21 68.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.882 -0.58 . . . . 25.0 111.836 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -68.47 -20.68 64.62 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.649 0.738 . . . . 25.0 110.994 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 115.287 -0.869 . . . . 25.0 110.779 179.78 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.463 0.187 0 N-CA-C 107.435 -1.32 . . . . 25.0 107.435 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -74.7 129.21 37.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.255 0.55 . . . . 25.0 109.704 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -164.96 177.04 8.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 -172.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -74.34 133.36 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 32.1 mt -134.64 136.15 42.65 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.33 163.82 37.36 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.54 -139.03 12.55 Favored Glycine 0 N--CA 1.463 0.5 0 N-CA-C 115.952 1.141 . . . . 25.0 115.952 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -27.9 68.36 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.974 -0.721 . . . . 25.0 111.316 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -67.48 -37.86 83.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.367 -0.833 . . . . 25.0 110.754 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -63.71 -44.81 92.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 174.387 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.66 -43.75 97.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.89 -45.05 91.17 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.785 -0.572 . . . . 25.0 111.026 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.61 98.72 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.744 -0.383 . . . . 25.0 110.397 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.88 -36.59 84.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.222 0.534 . . . . 25.0 112.222 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -68.17 -41.72 81.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.455 -0.338 . . . . 25.0 110.22 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.21 -41.31 86.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.831 -0.543 . . . . 25.0 110.487 -177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.05 -33.46 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.761 -0.776 . . . . 25.0 112.893 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 t -124.69 -33.46 2.97 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 116.715 2.116 . . . . 25.0 116.715 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.661 0 C-N-CA 120.427 -0.892 . . . . 25.0 111.831 -179.741 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 C--O 1.224 -0.259 0 N-CA-C 112.892 0.701 . . . . 25.0 112.892 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.94 -46.4 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -68.98 -26.24 64.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.937 -0.477 . . . . 25.0 111.572 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -79.57 -42.42 25.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.53 -35.72 5.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 116.323 1.971 . . . . 25.0 116.323 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.36 -48.0 16.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.471 -1.677 . . . . 25.0 106.471 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 m -72.17 -44.76 62.55 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -125.37 -176.88 3.71 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.553 -0.717 . . . . 25.0 112.58 -176.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.26 134.11 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -131.93 154.98 48.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -118.81 164.27 15.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.828 -0.624 . . . . 25.0 109.425 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -33.96 55.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 25.0 112.415 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.17 -39.26 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.394 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.86 -38.87 24.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.29 -37.78 65.16 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.774 -0.648 . . . . 25.0 111.881 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.87 -34.13 67.55 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.14 0.793 . . . . 25.0 113.14 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.6 -16.08 62.28 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.852 -0.53 . . . . 25.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 177.427 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t . . . . . 0 C--O 1.242 0.686 0 N-CA-C 108.441 -0.948 . . . . 25.0 108.441 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -71.77 121.12 18.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -161.16 177.53 10.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 -171.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.08 132.29 43.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -137.44 138.88 40.25 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.198 -1.038 . . . . 25.0 108.198 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -152.26 167.22 29.32 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -140.84 28.07 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 115.743 1.057 . . . . 25.0 115.743 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -61.38 -29.01 69.65 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.711 -0.288 . . . . 25.0 111.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -65.22 -38.81 91.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.473 -0.767 . . . . 25.0 110.78 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -45.48 89.21 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.05 -42.88 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.69 -0.485 . . . . 25.0 109.69 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.77 -42.77 99.41 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.521 -0.112 . . . . 25.0 110.74 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.76 95.68 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.282 -0.567 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -38.57 90.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.521 0.677 . . . . 25.0 109.658 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -67.48 -41.77 84.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 25.0 112.17 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.07 -38.54 82.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.545 -0.722 . . . . 25.0 110.796 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.53 -38.56 22.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.096 -0.642 . . . . 25.0 112.29 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.8 t -125.88 -30.22 3.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.532 2.049 . . . . 25.0 116.532 -173.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.858 0 C-N-CA 120.031 -1.081 . . . . 25.0 111.732 -179.339 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.82 -49.66 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 121.219 -0.926 . . . . 25.0 111.934 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -73.68 -16.78 61.19 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.267 -0.895 . . . . 25.0 111.43 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -83.86 -49.64 8.85 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 121.881 -0.512 . . . . 25.0 111.747 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -106.02 -21.9 13.02 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.281 1.586 . . . . 25.0 115.281 -169.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -86.81 -50.22 6.88 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.77 -1.567 . . . . 25.0 106.77 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.0 m -72.25 -45.89 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.631 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -114.36 -171.61 1.95 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 mm -95.92 133.51 36.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 C-N-CA 123.455 0.702 . . . . 25.0 110.591 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -121.28 146.82 46.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 25.0 110.401 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -106.29 168.4 9.17 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -55.88 -30.77 62.07 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.66 0.743 . . . . 25.0 111.901 177.246 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.42 -47.0 87.14 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.543 -0.753 . . . . 25.0 111.308 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -72.34 -38.66 68.55 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.417 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.9 mm? -56.27 -35.86 67.93 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.836 0.289 . . . . 25.0 111.741 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.73 -28.3 69.33 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -67.72 -13.16 61.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.317 -0.864 . . . . 25.0 110.559 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--N 1.324 -0.52 0 O-C-N 122.303 -0.248 . . . . 25.0 110.813 -178.353 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.4 t . . . . . 0 N--CA 1.465 0.298 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -72.59 131.02 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.796 -1.187 . . . . 25.0 107.796 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -166.83 -179.6 4.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.439 -0.948 . . . . 25.0 108.439 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.3 131.95 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 105.798 -1.927 . . . . 25.0 105.798 172.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.8 mt -132.49 137.49 47.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.25 159.9 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.915 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -134.42 17.69 Favored Glycine 0 N--CA 1.466 0.691 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -30.67 69.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.039 -0.58 . . . . 25.0 111.806 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.17 -34.51 76.44 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.089 -1.007 . . . . 25.0 110.967 176.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -43.15 90.01 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 175.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.41 -41.91 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.263 178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.81 -44.28 94.06 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 122.238 -0.289 . . . . 25.0 111.125 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.15 95.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.066 -0.396 . . . . 25.0 110.743 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -34.14 77.58 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.597 0.237 . . . . 25.0 111.293 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -68.37 -44.37 75.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.653 -0.419 . . . . 25.0 110.766 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.634 0.731 . . . . 25.0 110.209 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 16' ' ' LEU . 7.8 p -82.56 -32.81 10.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 114.501 1.297 . . . . 25.0 114.501 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -123.73 -34.18 3.07 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.184 1.92 . . . . 25.0 116.184 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.397 0 C-N-CA 120.218 -0.991 . . . . 25.0 111.449 179.464 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 CA--C 1.548 0.887 0 CA-C-O 120.745 0.307 . . . . 25.0 111.126 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.28 -43.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.196 -0.315 . . . . 25.0 111.17 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -70.05 -28.14 65.21 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.211 -0.931 . . . . 25.0 111.469 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.35 -33.69 20.48 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 113.102 0.778 . . . . 25.0 113.102 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.8 m -106.43 -35.52 7.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.5 1.667 . . . . 25.0 115.5 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -80.95 -53.23 6.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.9 m -71.49 -46.44 59.81 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -177.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.7 p -114.2 -177.2 3.07 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 122.148 -0.345 . . . . 25.0 110.546 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.2 mm -91.44 133.71 32.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.08 155.63 44.08 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -122.14 164.97 16.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.248 -0.887 . . . . 25.0 109.357 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.44 -34.81 62.12 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.462 0.648 . . . . 25.0 112.303 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.372 0.669 . . . . 25.0 111.491 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -80.97 -38.86 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.399 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.6 mm? -52.01 -39.36 59.37 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.824 0.45 . . . . 25.0 111.921 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.9 -30.76 66.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.449 1.278 . . . . 25.0 114.449 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -68.28 -19.75 64.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.617 0.723 . . . . 25.0 111.275 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--N 1.32 -0.698 0 CA-C-O 121.021 0.439 . . . . 25.0 110.236 -179.777 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.4 t . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -74.89 124.07 26.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -162.05 178.22 9.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 -173.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -74.52 116.95 15.78 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.493 -1.299 . . . . 25.0 107.493 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 mt -119.97 136.33 54.58 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.45 164.61 36.37 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.987 -0.551 . . . . 25.0 110.541 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.14 -136.09 30.67 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 115.604 1.002 . . . . 25.0 115.604 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -62.65 -29.35 70.56 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.506 -0.409 . . . . 25.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.94 -37.16 83.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.64 -0.663 . . . . 25.0 110.774 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -45.29 85.51 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 174.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.79 -42.78 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -61.13 -42.23 98.16 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.901 -0.499 . . . . 25.0 109.953 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -36.06 82.49 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.509 0.506 . . . . 25.0 110.316 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -67.95 -42.53 80.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.86 -41.57 82.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.618 0.723 . . . . 25.0 110.732 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 16' ' ' LEU . 11.8 p -79.17 -35.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 25.0 112.457 -177.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 -22.97 1.63 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 117.701 2.482 . . . . 25.0 117.701 -173.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.47 0 N-CA-C 109.935 -1.266 . . . . 25.0 109.935 -178.035 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 120.558 0.218 . . . . 25.0 111.515 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.35 -45.83 97.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.039 -0.413 . . . . 25.0 110.32 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -71.04 -28.83 64.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.383 -0.823 . . . . 25.0 111.075 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -76.04 -37.98 57.7 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.2 m -118.78 -34.94 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -80.61 -20.81 42.37 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -108.71 -50.19 3.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.934 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -112.97 -175.02 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.129 -0.357 . . . . 25.0 110.243 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mm -92.72 133.3 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -127.91 152.55 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.222 0.534 . . . . 25.0 109.921 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -118.76 162.17 18.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.121 -0.945 . . . . 25.0 109.01 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -52.6 -33.11 44.81 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -57.83 -46.2 85.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.474 -0.784 . . . . 25.0 111.166 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -73.78 -39.79 63.91 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.06 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.94 -36.66 60.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.959 0.355 . . . . 25.0 111.959 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.46 -31.24 67.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.731 1.011 . . . . 25.0 113.731 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.12 -16.07 63.57 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.899 -0.5 . . . . 25.0 110.793 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.252 179.471 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.7 t . . . . . 0 C--O 1.239 0.524 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.09 125.32 28.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -166.55 176.54 7.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.13 131.28 41.15 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 173.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -135.47 141.73 45.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.92 168.57 25.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.6 -142.61 19.76 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.283 0.873 . . . . 25.0 115.283 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.69 -29.27 66.5 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.349 -0.425 . . . . 25.0 111.498 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -36.49 81.63 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 121.961 -0.462 . . . . 25.0 110.542 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -43.91 84.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 174.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.37 -41.91 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -60.58 -45.39 94.14 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 122.347 0.259 . . . . 25.0 111.232 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -46.63 89.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.441 -0.504 . . . . 25.0 111.088 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -36.14 82.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.088 0.471 . . . . 25.0 109.864 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -69.82 -41.77 74.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.667 -0.646 . . . . 25.0 111.411 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.36 -37.51 85.48 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.687 -0.633 . . . . 25.0 111.287 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.15 -37.84 17.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.106 -0.638 . . . . 25.0 112.29 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.0 t -124.86 -40.55 2.18 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 116.847 2.166 . . . . 25.0 116.847 -174.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.755 0 C-N-CA 120.015 -1.088 . . . . 25.0 113.552 -178.014 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 CA--C 1.542 0.638 0 N-CA-C 112.001 0.371 . . . . 25.0 112.001 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.65 -30.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.393 -0.817 . . . . 25.0 111.336 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -78.77 -17.77 55.25 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.5 -0.75 . . . . 25.0 111.359 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -96.81 -34.15 11.4 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -101.71 -33.55 9.82 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 115.329 1.603 . . . . 25.0 115.329 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -88.87 -49.69 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -68.16 -45.78 72.57 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -118.36 -174.07 2.59 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -96.09 137.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t -124.3 175.7 6.91 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -29.69 64.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -63.99 -44.73 91.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.778 0.799 . . . . 25.0 110.394 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -71.0 -41.51 70.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.1 -40.89 70.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.607 0.242 . . . . 25.0 111.632 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -29.52 68.83 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.945 0.72 . . . . 25.0 112.945 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -71.49 -17.26 62.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.928 -0.482 . . . . 25.0 110.808 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 . . . . . 0 C--N 1.328 -0.334 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 178.45 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t . . . . . 0 CA--C 1.516 -0.334 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -75.05 127.72 33.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -164.04 179.75 6.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 -172.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -76.9 108.26 9.82 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 173.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.04 131.44 53.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.1 161.95 36.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.718 -0.673 . . . . 25.0 109.925 -176.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -137.14 15.19 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -61.34 -28.84 69.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.319 -0.44 . . . . 25.0 111.828 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -66.44 -37.59 85.52 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.684 -0.635 . . . . 25.0 110.225 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -44.76 85.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.41 -40.86 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 120.709 -0.396 . . . . 25.0 110.06 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.65 -44.76 93.42 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.152 -0.343 . . . . 25.0 110.796 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.77 98.25 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.267 -0.573 . . . . 25.0 110.447 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.52 84.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.797 0.332 . . . . 25.0 110.428 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.16 -44.06 85.15 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.008 -0.433 . . . . 25.0 111.181 175.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.78 -41.48 87.59 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.668 -0.645 . . . . 25.0 110.456 -176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.37 -33.43 15.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.4 -26.92 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 117.742 2.497 . . . . 25.0 117.742 -174.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.074 0 N-CA-C 110.243 -1.143 . . . . 25.0 110.243 178.206 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 tt . . . . . 0 C--O 1.222 -0.348 0 CA-C-O 121.559 0.695 . . . . 25.0 112.357 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -61.1 -42.87 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 O-C-N 121.438 -0.788 . . . . 25.0 111.396 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -79.75 -17.38 53.63 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.221 -0.924 . . . . 25.0 111.924 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -38.97 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.638 0.607 . . . . 25.0 112.638 177.292 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -106.99 -37.6 6.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 114.866 1.432 . . . . 25.0 114.866 -176.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -75.87 -54.29 7.13 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.875 -1.13 . . . . 25.0 108.172 179.088 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -70.45 -43.19 70.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.323 0.86 . . . . 25.0 113.323 -178.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -117.43 -174.87 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.65 -0.656 . . . . 25.0 111.928 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -93.45 132.43 37.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.92 -1.511 . . . . 25.0 106.92 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -134.7 161.86 33.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 176.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 m -125.78 174.9 8.0 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 121.191 0.519 . . . . 25.0 110.558 -177.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -29.94 66.39 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.173 0.511 . . . . 25.0 111.823 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.358 0.599 . . . . 25.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.99 -41.28 71.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.533 -0.914 . . . . 25.0 108.533 177.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.67 -33.05 69.7 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.94 -33.53 68.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 118.709 0.686 . . . . 25.0 112.529 175.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -70.19 -20.9 63.09 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.721 -0.612 . . . . 25.0 110.358 -178.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 120.944 0.402 . . . . 25.0 111.001 178.941 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p . . . . . 0 C--O 1.239 0.538 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.52 119.59 22.03 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 107.768 -1.197 . . . . 25.0 107.768 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -162.38 177.5 9.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.74 -1.948 . . . . 25.0 105.74 -175.275 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -70.27 129.07 38.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.876 -1.157 . . . . 25.0 107.876 175.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt -133.35 133.15 42.12 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 -175.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.12 164.17 35.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -176.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.54 -136.88 31.41 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 115.441 0.937 . . . . 25.0 115.441 175.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.8 p -60.9 -30.29 70.09 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.339 -0.506 . . . . 25.0 112.168 178.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -38.22 86.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.728 -0.608 . . . . 25.0 110.044 177.31 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -45.66 87.01 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.552 -0.294 . . . . 25.0 110.49 174.452 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.51 -44.21 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.13 -45.53 90.68 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 121.331 -0.855 . . . . 25.0 112.001 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.21 95.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.399 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -37.02 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.035 0.445 . . . . 25.0 110.582 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.52 -39.27 85.09 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 122.059 -0.401 . . . . 25.0 110.753 177.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.01 -41.45 82.18 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.163 -0.961 . . . . 25.0 110.157 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.95 -36.7 25.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.94 -34.96 2.73 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.58 2.067 . . . . 25.0 116.58 -174.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.808 0 C-N-CA 119.653 -1.261 . . . . 25.0 111.791 -179.198 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.3 tp . . . . . 0 CA--C 1.535 0.39 0 N-CA-C 112.625 0.602 . . . . 25.0 112.625 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.98 -46.48 91.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 121.01 -0.276 . . . . 25.0 110.92 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.54 -25.24 53.9 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 120.799 -1.188 . . . . 25.0 110.928 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.67 -42.45 74.16 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.345 -0.222 . . . . 25.0 111.426 178.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -110.4 -39.43 4.94 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.983 1.846 . . . . 25.0 115.983 -174.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.59 -26.59 45.51 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 -176.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -100.23 -53.5 3.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.352 0.408 . . . . 25.0 111.104 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -106.93 -172.97 2.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.985 0.421 . . . . 25.0 111.16 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -89.92 138.58 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.244 -1.391 . . . . 25.0 107.244 177.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -132.61 150.75 52.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.368 0.604 . . . . 25.0 110.358 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.4 p -115.32 166.13 12.2 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.035 -0.53 . . . . 25.0 110.64 -175.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -55.4 -36.82 66.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.56 0.695 . . . . 25.0 111.54 178.136 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.42 -40.79 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.97 0.891 . . . . 25.0 110.791 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -79.76 -40.33 28.98 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.561 -0.712 . . . . 25.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.448 HD12 ' HG ' ' B' ' 15' ' ' LEU . 3.6 mm? -56.8 -34.73 67.95 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.728 0.411 . . . . 25.0 111.506 -178.285 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.44 -28.36 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 177.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -71.41 -13.15 61.75 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.18 0.514 . . . . 25.0 111.005 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 . . . . . 0 N--CA 1.469 0.492 0 CA-C-O 121.477 0.656 . . . . 25.0 110.257 178.843 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t . . . . . 0 C--O 1.235 0.322 0 N-CA-C 107.583 -1.266 . . . . 25.0 107.583 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -76.11 130.56 38.49 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -170.4 -178.37 2.7 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.05 -1.463 . . . . 25.0 107.05 -172.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -80.81 134.01 35.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.86 -1.533 . . . . 25.0 106.86 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mt -141.41 140.75 33.71 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -177.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t -154.16 167.85 28.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 119.306 -0.378 . . . . 25.0 110.153 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.07 -142.82 30.83 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-O 122.265 0.925 . . . . 25.0 113.377 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -62.21 -24.99 67.54 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.361 -0.494 . . . . 25.0 111.397 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -69.87 -33.93 72.9 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 120.835 -1.166 . . . . 25.0 110.085 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -43.37 82.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 173.257 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.77 -41.31 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 178.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.82 -41.93 99.51 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 121.956 0.102 . . . . 25.0 111.002 178.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.23 89.88 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.77 -0.581 . . . . 25.0 110.803 178.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.448 ' HG ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -61.25 -36.94 81.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.093 0.473 . . . . 25.0 109.938 177.335 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.93 -42.31 81.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.757 -0.589 . . . . 25.0 111.574 176.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 -39.7 89.98 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.303 -0.873 . . . . 25.0 110.714 -177.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.36 -33.43 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -179.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.53 -22.42 1.93 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 117.518 2.414 . . . . 25.0 117.518 -172.45 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.567 0 C-N-CA 119.771 -1.204 . . . . 25.0 111.582 176.77 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 tp . . . . . 0 N--CA 1.476 0.87 0 CA-C-O 121.226 0.536 . . . . 25.0 112.304 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -69.83 -40.12 78.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.19 -3.21 41.46 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.57 0.581 . . . . 25.0 112.57 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -98.97 -54.32 3.02 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 171.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -84.11 -38.47 20.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 116.753 2.131 . . . . 25.0 116.753 -174.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.0 -13.24 53.77 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.41 -0.806 . . . . 25.0 109.212 -177.108 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 m -103.95 -45.03 4.87 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.361 0.601 . . . . 25.0 111.827 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -124.91 -172.82 2.66 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.334 -0.394 . . . . 25.0 110.377 -177.219 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.28 136.56 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.502 -1.666 . . . . 25.0 106.502 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -132.1 146.73 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.067 0.46 . . . . 25.0 110.434 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.8 m -113.13 160.82 17.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.044 -0.98 . . . . 25.0 109.13 -178.067 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -56.59 -31.45 64.27 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.73 -45.48 94.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.857 0.837 . . . . 25.0 110.372 179.111 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.21 -39.4 68.59 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.47 -37.57 65.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.17 -28.71 59.14 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 114.082 1.141 . . . . 25.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -70.21 -20.45 63.1 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.546 -178.273 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 . . . . . 0 CA--C 1.514 -0.426 0 CA-C-O 121.337 0.589 . . . . 25.0 110.81 -179.461 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p . . . . . 0 C--O 1.249 1.027 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -74.59 117.94 16.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.753 -0.832 . . . . 25.0 108.753 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -157.83 -179.78 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.934 -1.136 . . . . 25.0 107.934 -172.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -75.52 105.18 6.42 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.4 mt -103.26 137.52 41.29 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.61 165.53 34.03 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.862 0.363 . . . . 25.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.31 -140.3 28.53 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 115.709 1.043 . . . . 25.0 115.709 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -29.66 70.2 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.813 0.34 . . . . 25.0 111.462 179.568 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -65.91 -38.49 88.84 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.833 -0.542 . . . . 25.0 109.695 176.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -43.67 96.52 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 122.037 -0.414 . . . . 25.0 110.024 174.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.6 t -62.5 -41.78 93.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 119.675 -0.81 . . . . 25.0 110.632 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.06 -42.55 99.31 Favored 'General case' 0 C--O 1.208 -1.132 0 O-C-N 121.565 -0.709 . . . . 25.0 111.495 176.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.16 90.75 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.399 -179.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.87 -38.98 90.29 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.846 0.355 . . . . 25.0 111.631 177.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.25 -42.64 99.21 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.02 -0.425 . . . . 25.0 111.272 176.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -68.76 -39.74 80.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.841 -0.744 . . . . 25.0 110.852 -176.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -81.68 -33.61 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -125.61 -30.25 3.09 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.221 1.934 . . . . 25.0 116.221 -174.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.544 0 O-C-N 120.885 -1.134 . . . . 25.0 111.423 178.546 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.473 0.697 0 N-CA-C 112.092 0.404 . . . . 25.0 112.092 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.27 -43.3 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 121.71 -0.619 . . . . 25.0 110.302 178.177 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -72.33 -20.66 61.45 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 121.773 -0.579 . . . . 25.0 111.905 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -91.42 -36.26 13.89 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.14 -36.6 6.52 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 115.374 1.62 . . . . 25.0 115.374 -176.073 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.5 m -80.31 -48.82 12.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 179.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m -72.68 -47.81 44.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.863 0.69 . . . . 25.0 112.863 -177.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -112.72 -178.92 3.51 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 121.806 -0.559 . . . . 25.0 110.941 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -86.99 131.1 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -130.18 160.64 33.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 25.0 109.808 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.2 p -129.38 170.65 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.951 -173.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -58.24 -33.04 68.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.103 0.477 . . . . 25.0 111.457 177.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 -42.83 99.29 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.079 -0.51 . . . . 25.0 110.737 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -69.1 -46.25 68.18 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 4.1 mp -56.42 -34.46 66.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -175.053 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.49 -33.64 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 25.0 111.719 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -71.21 -19.26 62.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.713 -0.617 . . . . 25.0 111.596 -178.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.451 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 94.5 m-85 . . . . . 0 C--N 1.325 -0.463 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 178.318 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--O 1.239 0.518 0 N-CA-C 107.551 -1.278 . . . . 25.0 107.551 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -72.63 139.86 47.63 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.196 -1.039 . . . . 25.0 108.196 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.66 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 -172.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.93 97.22 6.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 171.212 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.48 134.97 34.19 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -149.31 161.97 40.99 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.804 -0.358 . . . . 25.0 111.067 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.96 -137.98 27.02 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -59.75 -32.26 70.41 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.465 -0.368 . . . . 25.0 111.247 179.381 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -63.47 -38.87 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.035 -0.415 . . . . 25.0 110.539 176.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -46.04 87.26 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.761 -0.459 . . . . 25.0 109.761 175.103 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.42 -41.72 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 120.27 -0.572 . . . . 25.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -61.44 -41.83 97.8 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.268 0.227 . . . . 25.0 110.591 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.83 97.34 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.016 -0.428 . . . . 25.0 110.55 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.13 -35.15 80.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.727 0.299 . . . . 25.0 110.856 177.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.44 -43.44 85.61 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.908 -0.495 . . . . 25.0 110.359 176.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -67.19 -40.53 86.53 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.697 -176.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -79.57 -35.03 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.976 -0.69 . . . . 25.0 112.71 -179.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.5 -32.46 1.52 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.831 2.53 . . . . 25.0 117.831 -176.234 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.508 -0.371 0 C-N-CA 120.643 -0.789 . . . . 25.0 112.29 -177.976 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 tp . . . . . 0 CA--C 1.539 0.539 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.65 -46.67 85.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.107 -0.996 . . . . 25.0 109.146 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.35 -14.12 60.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.146 -0.479 . . . . 25.0 112.269 -175.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -99.09 -37.17 9.44 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 120.925 0.393 . . . . 25.0 111.465 176.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -109.36 -30.06 8.16 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 115.694 1.738 . . . . 25.0 115.694 -170.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.6 m -82.0 -49.58 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.502 -2.036 . . . . 25.0 105.502 174.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -70.93 -43.7 67.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -177.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.13 -178.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.833 -0.542 . . . . 25.0 111.083 -177.271 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -86.41 127.85 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -119.51 131.37 55.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.075 0.464 . . . . 25.0 110.656 -179.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -99.4 167.1 10.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 177.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pp -58.44 -32.48 68.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.778 0.323 . . . . 25.0 111.466 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.69 -39.19 90.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.565 0.698 . . . . 25.0 110.823 178.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -72.34 -42.66 65.11 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -31.33 69.85 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.448 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.5 -27.46 67.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.516 0.562 . . . . 25.0 112.516 176.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.91 -17.06 64.72 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.732 -0.605 . . . . 25.0 110.604 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.61 -177.307 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t . . . . . 0 C--O 1.239 0.527 0 CA-C-O 121.613 0.72 . . . . 25.0 109.417 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -78.24 120.51 23.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.799 -1.091 . . . . 25.0 108.155 175.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -163.18 -179.77 6.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.554 -2.017 . . . . 25.0 105.554 -174.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -73.69 124.47 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 172.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.2 mt -128.88 137.76 51.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.706 -1.591 . . . . 25.0 106.706 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.82 167.17 27.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.44 -178.239 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -136.69 30.99 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 178.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -61.28 -32.55 72.38 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.638 -0.281 . . . . 25.0 111.178 -179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -37.2 86.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.336 -0.545 . . . . 25.0 109.696 178.297 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -49.46 66.46 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.497 -0.481 . . . . 25.0 111.265 176.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.59 -30.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 119.252 -0.979 . . . . 25.0 109.766 -176.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.0 -46.23 88.64 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.693 -0.629 . . . . 25.0 110.677 172.023 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.12 97.74 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.362 -0.836 . . . . 25.0 109.406 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -34.97 79.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 179.52 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -68.46 -41.57 80.02 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 120.98 -0.288 . . . . 25.0 110.636 176.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.72 -39.84 91.6 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.577 -0.702 . . . . 25.0 110.934 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -84.33 -34.44 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -126.15 -32.34 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.845 1.794 . . . . 25.0 115.845 -172.169 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.67 0 N-CA-C 110.354 -1.098 . . . . 25.0 110.354 178.611 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.0 tp . . . . . 0 C--O 1.239 0.54 0 CA-C-O 120.923 0.392 . . . . 25.0 109.953 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.88 -34.72 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 O-C-N 121.713 -0.617 . . . . 25.0 110.31 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.43 -20.98 53.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.301 0.572 . . . . 25.0 110.119 -178.61 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -88.32 -39.02 14.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.579 0.585 . . . . 25.0 112.579 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.2 m -105.63 -32.71 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.456 2.021 . . . . 25.0 116.456 -174.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.1 -52.84 7.3 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.227 -1.768 . . . . 25.0 106.227 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -67.04 -45.29 77.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.896 -1.047 . . . . 25.0 113.113 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -120.51 -176.03 3.14 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -174.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.6 mm -91.57 134.83 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 177.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.28 146.86 51.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 176.75 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -110.84 168.61 9.35 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.116 -0.947 . . . . 25.0 109.089 -177.165 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.31 -32.15 62.22 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.009 -0.542 . . . . 25.0 112.411 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.42 -43.32 99.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.954 0.353 . . . . 25.0 111.954 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -70.64 -43.8 68.46 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 177.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.488 ' HB3' HG11 ' B' ' 18' ' ' VAL . 3.3 mm? -52.33 -40.28 61.73 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -178.689 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.95 -32.41 67.79 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 25.0 112.648 179.317 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -69.02 -20.77 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.406 0.548 . . . . 25.0 111.403 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 . . . . . 0 CA--C 1.51 -0.593 0 CA-C-O 121.297 0.57 . . . . 25.0 110.691 179.229 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 109.516 -0.55 . . . . 25.0 109.516 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -74.74 122.09 22.74 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.926 0.766 . . . . 25.0 109.333 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -163.6 173.46 12.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 -173.263 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -71.66 131.52 43.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 174.635 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -136.72 137.6 40.12 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 -176.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 163.08 38.17 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 -177.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.35 -136.51 11.84 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 116.865 1.506 . . . . 25.0 116.865 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -27.67 68.75 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 122.199 -0.589 . . . . 25.0 112.379 179.339 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -67.53 -37.74 83.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.596 -0.69 . . . . 25.0 109.433 176.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -44.06 90.35 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -36.64 78.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 120.86 -0.336 . . . . 25.0 111.037 -179.142 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.04 -43.9 97.85 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 175.083 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.73 94.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.828 178.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.05 -35.46 80.31 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.302 0.572 . . . . 25.0 109.913 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -68.66 -41.34 79.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.953 177.181 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.43 75.46 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.751 -0.593 . . . . 25.0 111.118 -177.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 16' ' ' LEU . 13.9 p -79.69 -32.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 113.445 0.906 . . . . 25.0 113.445 -178.348 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.89 -26.4 1.19 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.061 2.245 . . . . 25.0 117.061 -177.403 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -1.172 0 C-N-CA 119.952 -1.118 . . . . 25.0 111.538 179.062 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 tp . . . . . 0 N--CA 1.464 0.227 0 N-CA-C 111.905 0.335 . . . . 25.0 111.905 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.94 -45.66 83.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 O-C-N 121.495 -0.753 . . . . 25.0 109.97 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -68.29 -32.07 71.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.693 0.758 . . . . 25.0 111.82 -179.073 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -75.38 -44.09 46.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.768 -0.651 . . . . 25.0 110.944 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -108.16 -41.58 4.87 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 116.668 2.099 . . . . 25.0 116.668 -172.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.94 -45.49 57.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 -178.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -80.57 -46.47 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.435 -0.802 . . . . 25.0 112.218 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -114.7 178.79 4.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -174.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.3 mm -84.42 130.55 35.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 178.27 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -127.88 150.81 49.7 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.444 0.64 . . . . 25.0 109.601 175.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -112.64 168.66 9.48 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.255 -0.884 . . . . 25.0 110.721 -174.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -29.29 70.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.763 0.316 . . . . 25.0 110.957 -179.16 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.97 -44.08 93.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.74 0.781 . . . . 25.0 111.327 178.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -68.81 -43.44 75.59 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.788 -0.57 . . . . 25.0 110.195 176.02 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.443 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.7 mm? -55.58 -36.78 67.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.2 -30.54 70.48 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.63 -0.669 . . . . 25.0 112.304 177.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -73.25 -13.65 61.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.869 -0.519 . . . . 25.0 110.519 -177.217 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 . . . . . 0 N--CA 1.467 0.396 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.044 177.94 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 CA--C 1.519 -0.223 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -73.45 132.93 43.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.988 -1.116 . . . . 25.0 107.988 -177.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -166.11 -178.53 4.68 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 -173.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.99 136.64 36.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 170.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 mt -138.39 141.89 39.61 Favored 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 -178.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.33 165.11 36.8 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.76 -132.41 22.58 Favored Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.72 1.048 . . . . 25.0 115.72 177.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -62.81 -30.61 71.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.041 -0.579 . . . . 25.0 111.692 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -70.6 -33.59 71.21 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.161 -0.962 . . . . 25.0 109.594 177.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -46.33 79.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 121.014 -0.274 . . . . 25.0 110.296 175.853 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.73 -28.52 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 118.603 -1.239 . . . . 25.0 110.666 -178.625 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -65.59 -40.72 93.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.476 -0.329 . . . . 25.0 110.731 172.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.0 93.0 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.589 -0.694 . . . . 25.0 110.272 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.23 -38.36 79.8 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.33 177.402 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -67.02 -44.79 79.4 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.935 -0.478 . . . . 25.0 111.27 177.675 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.16 -38.17 85.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.921 -0.487 . . . . 25.0 111.104 -176.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 16' ' ' LEU . 9.5 p -82.51 -33.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 114.102 1.149 . . . . 25.0 114.102 -179.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -125.33 -40.09 2.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.714 2.116 . . . . 25.0 116.714 -177.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -1.068 0 C-N-CA 120.702 -0.761 . . . . 25.0 114.365 -176.79 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 CA--C 1.537 0.462 0 N-CA-C 112.683 0.623 . . . . 25.0 112.683 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.1 -42.71 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 O-C-N 120.899 -1.125 . . . . 25.0 111.123 -177.546 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -70.0 -27.57 64.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.369 0.605 . . . . 25.0 110.141 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -84.3 -35.02 23.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -109.09 -36.9 5.94 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 116.531 2.048 . . . . 25.0 116.531 -177.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 t -81.88 -24.23 35.86 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.792 -1.192 . . . . 25.0 108.93 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -104.72 -48.25 3.83 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.743 -0.662 . . . . 25.0 112.275 177.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -108.17 -177.6 3.37 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.775 0.798 . . . . 25.0 111.615 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.88 137.1 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 105.519 -2.03 . . . . 25.0 105.519 174.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -135.11 153.44 52.01 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 174.381 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -119.58 171.52 8.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -34.69 63.68 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 123.619 0.575 . . . . 25.0 110.413 -178.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -59.67 -50.13 75.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.813 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -65.71 -43.31 89.49 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.92 -38.3 70.09 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -178.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.57 -24.56 65.53 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 176.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.11 -17.83 64.96 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.071 0.85 . . . . 25.0 110.382 175.676 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 . . . . . 0 N--CA 1.451 -0.419 0 C-N-CA 123.835 0.854 . . . . 25.0 110.737 179.507 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 C--O 1.252 1.217 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -81.0 128.38 33.63 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.705 -0.68 . . . . 25.0 110.6 -176.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -164.8 176.57 8.64 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 -174.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.35 136.66 38.47 Favored 'General case' 0 C--O 1.192 -1.928 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 173.276 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -137.8 139.91 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 -177.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -150.96 168.05 25.73 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 179.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.3 -139.29 30.44 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -63.1 -27.58 69.49 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 122.13 -0.63 . . . . 25.0 112.415 178.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -69.83 -33.09 71.84 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.292 0.496 . . . . 25.0 109.863 176.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -44.64 80.12 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 107.674 -1.232 . . . . 25.0 107.674 174.583 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.1 -42.6 90.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 120.304 -0.558 . . . . 25.0 110.207 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.37 -46.06 83.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 176.224 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.07 96.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.181 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.37 -37.49 85.92 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.303 0.377 . . . . 25.0 111.989 177.023 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -64.06 -45.63 87.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.875 -0.148 . . . . 25.0 110.884 174.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.04 -38.02 87.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.754 -0.591 . . . . 25.0 111.304 -175.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.65 -35.86 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.19 -29.41 2.75 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.573 1.694 . . . . 25.0 115.573 -175.267 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.597 0 C-N-CA 120.702 -0.761 . . . . 25.0 111.281 175.794 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tp . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 112.567 0.58 . . . . 25.0 112.567 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.52 -44.31 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 121.015 -1.053 . . . . 25.0 109.194 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -64.03 -32.03 73.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.693 -0.685 . . . . 25.0 110.647 -178.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -85.01 -40.57 16.72 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.519 0.933 . . . . 25.0 113.519 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.3 m -102.44 -39.15 7.26 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.7 m -78.25 -53.61 7.14 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 -178.762 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -71.5 -44.24 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.539 -179.084 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -116.49 -175.33 2.73 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.131 -0.355 . . . . 25.0 111.414 -176.443 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -89.08 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.028 -1.471 . . . . 25.0 107.028 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -133.33 152.75 51.94 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.245 0.831 . . . . 25.0 113.245 174.154 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -118.28 168.17 10.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.011 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -60.8 -32.44 71.8 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.003 -0.436 . . . . 25.0 111.939 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -61.43 -43.24 99.21 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 121.805 0.812 . . . . 25.0 110.077 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -71.06 -43.22 68.23 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.929 -0.482 . . . . 25.0 109.748 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 5.8 mt -56.11 -37.05 68.89 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -179.47 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.72 -31.86 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.673 -0.642 . . . . 25.0 112.695 175.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.65 -18.9 62.16 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.603 -1.311 . . . . 25.0 110.653 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 99.5 m-85 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 121.908 0.861 . . . . 25.0 110.689 177.226 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t . . . . . 0 C--O 1.238 0.499 0 N-CA-C 107.153 -1.425 . . . . 25.0 107.153 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -77.01 131.13 38.29 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -166.95 -178.54 4.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 -174.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -78.15 135.62 37.69 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 172.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.4 mt -139.55 145.32 38.5 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -153.37 169.36 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.98 -143.89 13.64 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 122.255 0.919 . . . . 25.0 114.958 179.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.26 -26.57 65.03 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -38.66 87.85 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.086 0.469 . . . . 25.0 110.488 176.049 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -45.39 85.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 25.0 108.879 175.411 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.35 -41.8 88.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.979 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 179.209 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -60.76 -45.1 95.63 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 121.696 -0.627 . . . . 25.0 111.261 178.015 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.46 96.18 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.691 -0.404 . . . . 25.0 111.266 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -37.11 85.9 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.316 0.579 . . . . 25.0 109.727 178.53 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -65.64 -44.8 85.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 122.054 -0.404 . . . . 25.0 110.937 176.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.12 -40.81 95.0 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.171 -0.611 . . . . 25.0 111.05 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -75.43 -40.35 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 119.59 -0.844 . . . . 25.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.33 -23.04 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.08 2.622 . . . . 25.0 118.08 -171.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.716 0 N-CA-C 109.571 -1.411 . . . . 25.0 109.571 176.301 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 121.336 0.589 . . . . 25.0 111.59 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.52 -39.39 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 O-C-N 120.48 -1.388 . . . . 25.0 110.021 -175.513 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.87 2.5 14.43 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -115.79 -37.62 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.369 0.604 . . . . 25.0 111.982 174.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -98.14 -22.34 16.26 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t -98.93 -54.39 3.01 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 m -63.53 -35.3 80.04 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.193 -0.912 . . . . 25.0 111.914 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -127.93 -173.86 3.05 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.243 -0.91 . . . . 25.0 109.655 177.008 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 mm -91.75 137.73 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.18 165.09 26.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.165 -1.42 . . . . 25.0 107.165 172.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -126.55 173.7 9.23 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -176.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.56 -32.99 43.74 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 113.018 0.748 . . . . 25.0 113.018 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.16 -40.21 95.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.073 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.83 -45.87 48.64 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.496 -0.927 . . . . 25.0 108.496 178.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' HG ' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -54.04 -39.4 66.17 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -178.081 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.62 -35.09 71.94 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 117.558 0.163 . . . . 25.0 111.066 179.074 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -69.34 -21.91 63.79 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.934 -1.103 . . . . 25.0 112.666 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 . . . . . 0 C--O 1.213 -0.817 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 178.961 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t . . . . . 0 C--O 1.22 -0.459 0 N-CA-C 108.964 -0.754 . . . . 25.0 108.964 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -73.87 127.24 32.33 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.001 -1.481 . . . . 25.0 107.001 175.448 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -167.35 -179.52 4.52 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 -171.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -77.84 128.11 33.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 173.104 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.14 137.14 46.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.8 161.32 38.4 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.783 -0.451 . . . . 25.0 109.783 -177.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.97 -135.2 16.39 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 116.173 1.229 . . . . 25.0 116.173 176.272 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -61.49 -29.03 69.72 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 118.476 -0.773 . . . . 25.0 111.711 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.45 -39.08 93.14 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.382 0.537 . . . . 25.0 109.571 175.215 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -44.0 94.46 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.807 -0.558 . . . . 25.0 110.49 175.35 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.15 -42.01 93.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.962 0 N-CA-C 109.573 -0.528 . . . . 25.0 109.573 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.13 -43.23 95.83 Favored 'General case' 0 C--O 1.195 -1.797 0 C-N-CA 120.734 -0.386 . . . . 25.0 110.947 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.54 93.45 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 122.02 -0.425 . . . . 25.0 110.616 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.461 ' HG ' HD12 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -62.65 -38.29 89.72 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.581 0.705 . . . . 25.0 111.193 178.396 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -68.09 -42.1 80.86 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.798 -0.564 . . . . 25.0 111.31 179.564 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.09 -38.47 78.98 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.03 -1.043 . . . . 25.0 111.115 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -81.33 -35.66 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 119.655 -0.818 . . . . 25.0 113.115 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 t -125.9 -34.75 2.56 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 -172.138 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.872 0 C-N-CA 120.135 -1.031 . . . . 25.0 112.804 -175.729 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.853 0 CA-C-O 122.784 1.213 . . . . 25.0 113.249 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.2 tp -51.74 -36.36 18.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 114.413 1.264 . . . . 25.0 114.413 -174.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.46 -45.61 81.79 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 O-C-N 121.528 -0.733 . . . . 25.0 109.975 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.6 -25.05 63.77 Favored 'General case' 0 C--O 1.215 -0.745 0 CA-C-N 116.438 -0.346 . . . . 25.0 110.37 -177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.65 -39.45 20.22 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 113.037 0.754 . . . . 25.0 113.037 -179.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.6 m -111.28 -36.02 5.7 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.416 2.006 . . . . 25.0 116.416 -173.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 69.8 m -75.82 -51.91 11.55 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.1 m -71.54 -48.66 47.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 114.128 1.159 . . . . 25.0 114.128 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.3 p -117.03 -177.43 3.2 Favored 'General case' 0 C--O 1.218 -0.572 0 O-C-N 121.973 -0.454 . . . . 25.0 110.97 -177.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -87.11 134.44 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -132.87 166.48 22.21 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.734 -1.21 . . . . 25.0 107.734 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.9 t -137.9 170.86 15.32 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 108.5 -0.926 . . . . 25.0 108.5 -175.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -31.31 55.89 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 122.673 0.389 . . . . 25.0 111.372 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -58.01 -43.6 86.77 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.207 -0.451 . . . . 25.0 111.991 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -79.86 -37.83 34.05 Favored 'General case' 0 C--O 1.218 -0.585 0 C-N-CA 121.028 -0.269 . . . . 25.0 110.814 177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -55.97 -37.59 69.26 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 110.284 -0.265 . . . . 25.0 110.284 -178.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.28 -26.03 68.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 113.248 0.833 . . . . 25.0 113.248 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -71.67 -18.16 62.19 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 121.204 -0.935 . . . . 25.0 110.456 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -91.83 2.82 56.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.295 0.569 . . . . 25.0 109.75 178.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.1 t -105.71 -53.15 2.69 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 107.078 -1.452 . . . . 25.0 107.078 176.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 65.0 t30 . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 125.918 2.77 . . . . 25.0 113.763 177.413 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 122.78 1.276 . . . . 25.0 114.427 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.3 p -135.93 144.77 32.51 Favored 'Isoleucine or valine' 0 C--N 1.345 0.386 0 N-CA-C 107.327 -1.361 . . . . 25.0 107.327 173.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -77.7 125.73 29.78 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.425 -0.807 . . . . 25.0 110.1 -178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -164.52 177.64 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 -175.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -73.49 134.89 44.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 173.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 mt -138.34 138.64 38.51 Favored 'General case' 0 C--O 1.207 -1.166 0 N-CA-C 107.766 -1.198 . . . . 25.0 107.766 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.85 166.11 31.54 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.232 -0.655 . . . . 25.0 109.232 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.39 -135.79 22.83 Favored Glycine 0 C--N 1.333 0.403 0 N-CA-C 115.559 0.983 . . . . 25.0 115.559 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -62.41 -29.97 70.88 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.439 -0.448 . . . . 25.0 111.26 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -66.89 -37.06 83.67 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 120.547 -0.461 . . . . 25.0 110.12 177.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -46.31 85.47 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.122 174.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.45 -41.73 91.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 CA-C-O 120.884 0.373 . . . . 25.0 110.001 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -58.15 -44.23 87.79 Favored 'General case' 0 C--O 1.216 -0.67 0 C-N-CA 122.81 0.444 . . . . 25.0 111.776 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -44.31 94.99 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.14 -0.624 . . . . 25.0 110.089 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -37.85 87.86 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 123.467 0.48 . . . . 25.0 109.77 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -66.04 -44.43 84.61 Favored 'General case' 0 C--N 1.318 -0.802 0 C-N-CA 120.97 -0.292 . . . . 25.0 111.545 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 45.3 mt -65.81 -40.52 91.94 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 120.618 -0.433 . . . . 25.0 110.948 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.6 p -77.29 -38.52 27.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 119.785 -0.766 . . . . 25.0 112.473 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -133.48 -24.81 1.76 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 117.127 2.269 . . . . 25.0 117.127 -172.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.5 -33.19 86.57 Favored Glycine 0 C--O 1.224 -0.526 0 C-N-CA 119.331 -1.414 . . . . 25.0 110.816 176.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -72.66 -3.15 23.18 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 113.397 0.888 . . . . 25.0 113.397 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.77 0.83 36.51 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 108.322 -0.992 . . . . 25.0 108.322 174.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.75 1.88 82.3 Favored Glycine 0 C--O 1.222 -0.602 0 CA-C-N 116.145 -0.48 . . . . 25.0 113.424 -177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.04 79.98 0.78 Allowed Glycine 0 C--O 1.224 -0.484 0 N-CA-C 109.879 -1.288 . . . . 25.0 109.879 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -145.17 152.28 39.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -179.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -109.49 -1.31 18.39 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.148 -0.933 . . . . 25.0 111.3 -179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -78.64 68.56 8.07 Favored 'Trans proline' 0 C--N 1.396 3.079 0 C-N-CA 122.296 1.997 . . . . 25.0 113.379 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.21 -1.001 0 CA-C-O 125.211 2.434 . . . . 25.0 111.379 -175.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.45 0 CA-C-O 123.009 1.338 . . . . 25.0 116.127 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.449 HD13 ' CD2' ' A' ' 19' ' ' TYR . 4.6 tp -50.2 -39.06 15.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 O-C-N 121.16 -1.2 . . . . 25.0 113.213 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 97.3 t -66.05 -43.41 92.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.545 -0.722 . . . . 25.0 110.32 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -74.84 -16.8 60.68 Favored 'General case' 0 C--O 1.218 -0.553 0 O-C-N 121.601 -0.687 . . . . 25.0 112.155 -178.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -93.23 -30.52 15.15 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 112.59 0.589 . . . . 25.0 112.59 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 98.2 m -109.04 -41.82 4.6 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.614 1.339 . . . . 25.0 114.614 -177.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.4 t -79.66 -26.33 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.007 -0.738 . . . . 25.0 109.007 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.4 m -101.09 -46.34 5.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.795 -0.638 . . . . 25.0 112.562 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.5 m -112.3 -177.12 3.08 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.893 -0.505 . . . . 25.0 110.293 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.7 mm -88.08 133.49 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 107.043 -1.466 . . . . 25.0 107.043 177.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 p -131.84 161.95 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 174.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.5 t -132.34 175.25 9.44 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.126 -0.694 . . . . 25.0 109.126 -176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.6 -30.68 63.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.525 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -60.43 -50.36 73.89 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.786 -0.643 . . . . 25.0 111.375 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -68.8 -41.44 78.69 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.435 -0.95 . . . . 25.0 108.435 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 4.1 mp -55.99 -35.69 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 114.406 1.261 . . . . 25.0 114.406 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -60.1 -32.98 71.48 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.764 -0.374 . . . . 25.0 111.828 176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -72.6 -15.74 61.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.928 -0.483 . . . . 25.0 110.997 -179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CD2' HD13 ' A' ' 2' ' ' ILE . 49.0 m-85 -96.92 1.73 50.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.891 0.377 . . . . 25.0 110.512 176.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.8 t -99.6 -41.3 7.4 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.379 0.609 . . . . 25.0 110.439 178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 122.904 1.335 . . . . 25.0 111.562 -179.153 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.495 1.814 0 CA-C-O 123.409 1.576 . . . . 25.0 113.916 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.9 p -112.63 139.66 36.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 N-CA-C 108.007 -1.108 . . . . 25.0 108.007 176.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -75.94 133.43 40.48 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.462 -1.311 . . . . 25.0 107.462 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -167.29 -179.29 4.44 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -171.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -81.23 134.37 35.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 172.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.6 mt -135.29 139.84 44.68 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -151.0 163.02 39.71 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -178.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.34 -138.85 21.9 Favored Glycine 0 CA--C 1.519 0.339 0 N-CA-C 116.022 1.169 . . . . 25.0 116.022 176.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 13.1 p -59.49 -31.32 69.24 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.21 -0.495 . . . . 25.0 111.801 178.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -65.97 -36.53 83.58 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 121.527 -0.733 . . . . 25.0 110.611 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.69 -44.48 86.09 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.514 -0.55 . . . . 25.0 109.514 175.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.3 t -60.4 -44.4 96.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 120.952 -0.299 . . . . 25.0 110.231 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -59.43 -43.08 93.17 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 116.665 -0.243 . . . . 25.0 111.245 178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.54 -44.18 94.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 121.796 -0.565 . . . . 25.0 111.176 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.48 -37.12 86.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.245 0.545 . . . . 25.0 111.087 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -66.21 -40.92 90.69 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 122.094 -0.379 . . . . 25.0 111.268 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.0 mt -68.57 -38.82 81.05 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.772 -0.58 . . . . 25.0 111.012 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.23 -38.5 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -123.16 -29.98 3.8 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 116.842 2.164 . . . . 25.0 116.842 -171.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.42 -28.0 73.47 Favored Glycine 0 C--O 1.215 -1.032 0 N-CA-C 110.602 -0.999 . . . . 25.0 110.602 179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -86.74 21.11 2.31 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.119 0.485 . . . . 25.0 110.793 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -139.83 -43.72 0.43 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.599 0.592 . . . . 25.0 112.599 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.11 -133.1 5.57 Favored Glycine 0 C--O 1.223 -0.572 0 N-CA-C 110.615 -0.994 . . . . 25.0 110.615 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -111.43 -25.04 5.12 Favored Glycine 0 N--CA 1.462 0.396 0 N-CA-C 115.688 1.035 . . . . 25.0 115.688 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.2 t80 63.5 177.32 0.16 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.919 0.887 . . . . 25.0 112.284 -177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -122.58 -2.15 8.94 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.295 0.569 . . . . 25.0 110.755 -177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -80.0 80.69 2.98 Favored 'Trans proline' 0 C--N 1.395 2.977 0 C-N-CA 122.053 1.836 . . . . 25.0 112.264 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.485 1.325 0 CA-C-N 113.608 -1.633 . . . . 25.0 111.166 -177.068 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.192 -2.514 0 CA-C-O 121.705 0.614 . . . . 25.0 114.149 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.3 tp -169.25 -42.32 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.364 0.666 . . . . 25.0 110.811 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.3 t -56.57 -47.93 81.25 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -176.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -76.26 2.25 13.78 Favored 'General case' 0 C--N 1.318 -0.792 0 O-C-N 121.115 -0.99 . . . . 25.0 113.327 -177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -116.35 -24.98 7.68 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 37.2 m -111.71 -33.42 6.34 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 62.2 m -78.83 -49.41 12.99 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 107.023 -1.473 . . . . 25.0 107.023 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 18.7 m -75.87 -39.3 56.78 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.273 0.842 . . . . 25.0 113.273 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -117.15 -176.57 3.02 Favored 'General case' 0 C--O 1.217 -0.646 0 O-C-N 121.937 -0.477 . . . . 25.0 111.7 -177.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.1 mm -96.31 132.32 40.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.2 p -135.01 153.99 51.88 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.559 -1.274 . . . . 25.0 107.559 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -115.32 175.55 5.46 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.187 -1.042 . . . . 25.0 108.187 -178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.09 -32.45 64.15 Favored 'General case' 0 C--N 1.322 -0.589 0 O-C-N 123.545 0.528 . . . . 25.0 112.107 179.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.3 t80 -62.48 -43.96 97.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 25.0 111.456 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.8 mp0 -69.56 -44.18 71.42 Favored 'General case' 0 C--O 1.215 -0.734 0 N-CA-C 107.892 -1.151 . . . . 25.0 107.892 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.38 -39.53 60.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.161 0.43 . . . . 25.0 112.161 -178.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.66 -35.88 71.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.666 0.617 . . . . 25.0 112.666 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -71.29 -18.84 62.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.119 -0.363 . . . . 25.0 111.063 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.6 m-85 -87.02 -8.65 56.94 Favored 'General case' 0 C--O 1.216 -0.68 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 9.9 t -87.86 -47.05 8.89 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 107.013 -1.477 . . . . 25.0 107.013 178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.4 t30 . . . . . 0 CA--C 1.554 1.108 0 CA-C-N 113.564 -1.653 . . . . 25.0 112.671 177.36 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.1 t80 . . . . . 0 C--O 1.208 -1.092 0 CA-C-O 123.45 1.595 . . . . 25.0 114.49 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 67.4 t -124.37 136.08 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 N-CA-C 107.225 -1.398 . . . . 25.0 107.225 173.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -68.41 122.31 18.15 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -162.34 178.17 8.91 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.492 -1.299 . . . . 25.0 107.492 -173.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -74.93 109.87 8.75 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.397 -1.334 . . . . 25.0 107.397 174.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.1 mt -111.42 136.18 50.92 Favored 'General case' 0 CA--C 1.509 -0.626 0 N-CA-C 107.064 -1.458 . . . . 25.0 107.064 -177.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -151.93 164.09 37.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.249 -0.432 . . . . 25.0 110.01 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.26 -135.15 32.37 Favored Glycine 0 CA--C 1.519 0.327 0 N-CA-C 115.481 0.952 . . . . 25.0 115.481 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.1 p -60.23 -31.73 70.45 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 114.836 -0.682 . . . . 25.0 110.289 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -69.52 -34.77 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.749 -0.594 . . . . 25.0 110.774 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -44.29 92.61 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 174.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.12 -43.88 98.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -59.71 -42.07 92.22 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 122.15 -0.344 . . . . 25.0 111.777 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.42 -45.82 82.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.687 -0.405 . . . . 25.0 110.443 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.38 -35.64 79.81 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.212 0.53 . . . . 25.0 109.711 179.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -68.65 -42.61 77.71 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.75 -38.52 80.19 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.711 -0.618 . . . . 25.0 111.927 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.5 p -82.59 -32.84 10.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 113.917 1.08 . . . . 25.0 113.917 -178.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.5 t -126.08 -35.38 2.45 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 114.452 1.278 . . . . 25.0 114.452 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -62.12 -38.38 96.03 Favored Glycine 0 C--O 1.22 -0.72 0 C-N-CA 119.839 -1.172 . . . . 25.0 112.674 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -82.21 7.57 13.34 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 122.469 -0.43 . . . . 25.0 111.394 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 24.6 tpp180 -109.51 -42.97 4.18 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.112 0.482 . . . . 25.0 110.819 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.42 137.73 3.55 Favored Glycine 0 N--CA 1.446 -0.643 0 N-CA-C 110.518 -1.033 . . . . 25.0 110.518 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.94 20.76 13.25 Favored Glycine 0 N--CA 1.468 0.806 0 N-CA-C 116.53 1.372 . . . . 25.0 116.53 175.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.439 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 0.8 OUTLIER -78.18 158.25 29.09 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 121.902 -0.764 . . . . 25.0 112.02 178.612 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -116.88 -3.93 11.61 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 123.954 0.784 . . . . 25.0 112.554 -178.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.2 85.3 1.88 Allowed 'Trans proline' 0 C--N 1.396 3.054 0 C-N-CA 122.161 1.907 . . . . 25.0 112.049 176.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 125.471 2.558 . . . . 25.0 110.797 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 CA-C-O 122.225 0.903 . . . . 25.0 114.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.477 HD11 HD22 ' B' ' 11' ' ' LEU . 20.3 tt -56.88 -31.54 36.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.565 0 O-C-N 121.873 -0.781 . . . . 25.0 112.885 -178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 77.5 t -66.17 -48.78 80.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 O-C-N 121.211 -0.931 . . . . 25.0 109.302 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -66.23 -32.56 74.06 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.814 -0.554 . . . . 25.0 111.85 179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.5 mm-40 -79.98 -38.61 31.85 Favored 'General case' 0 C--O 1.212 -0.919 0 N-CA-C 114.038 1.125 . . . . 25.0 114.038 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -107.21 -42.02 4.97 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.984 1.476 . . . . 25.0 114.984 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 85.0 m -74.6 -56.26 5.02 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.778 -1.193 . . . . 25.0 107.778 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -73.24 -45.84 53.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.329 -0.85 . . . . 25.0 112.702 -176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.1 m -113.55 -172.5 2.09 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.095 0.406 . . . . 25.0 112.095 -177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.4 mm -94.62 131.76 40.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -129.63 161.78 29.78 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.813 -1.18 . . . . 25.0 107.813 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -120.53 167.98 11.83 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.825 -0.806 . . . . 25.0 108.825 -177.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -55.62 -31.91 62.68 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.02 -0.536 . . . . 25.0 111.699 179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -61.25 -42.48 98.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.254 0.55 . . . . 25.0 110.455 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -72.83 -39.91 66.19 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.379 -0.6 . . . . 25.0 109.379 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.8 mp -57.11 -36.12 70.26 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.926 0.713 . . . . 25.0 112.926 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.06 -30.91 71.31 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.207 -0.597 . . . . 25.0 111.835 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -71.92 -13.95 61.79 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 121.788 -0.57 . . . . 25.0 110.213 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -102.3 6.27 40.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.244 -0.434 . . . . 25.0 110.583 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.8 t -70.22 -43.05 71.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.605 0.716 . . . . 25.0 110.965 -178.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.4 t30 . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 124.736 2.207 . . . . 25.0 111.368 179.383 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.8 t80 . . . . . 0 N--CA 1.495 1.778 0 CA-C-O 123.294 1.521 . . . . 25.0 115.004 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.2 t -111.33 133.28 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 O-C-N 121.056 -1.027 . . . . 25.0 109.191 177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -70.3 126.49 29.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.254 -1.017 . . . . 25.0 108.254 177.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -164.76 174.49 10.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.687 -1.227 . . . . 25.0 107.687 -173.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -74.12 131.21 41.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.066 -1.087 . . . . 25.0 108.066 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.0 mt -137.54 140.97 41.38 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 107.431 -1.322 . . . . 25.0 107.431 -178.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -154.11 167.69 28.98 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 121.332 -0.147 . . . . 25.0 110.651 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.29 -139.92 29.17 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 114.581 0.592 . . . . 25.0 114.581 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.8 m -60.99 -28.22 68.87 Favored 'General case' 0 C--O 1.217 -0.645 0 O-C-N 122.463 -0.434 . . . . 25.0 111.925 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -67.65 -37.02 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 121.623 -0.673 . . . . 25.0 110.485 176.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.477 HD22 HD11 ' A' ' 2' ' ' ILE . 0.7 OUTLIER -63.96 -44.75 91.85 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.849 -0.426 . . . . 25.0 109.849 172.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.1 t -60.32 -43.23 93.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 N-CA-C 110.52 -0.178 . . . . 25.0 110.52 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -61.99 -43.74 98.21 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 122.043 -0.411 . . . . 25.0 110.59 177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.89 -42.29 99.72 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.475 179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.56 -35.2 80.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.187 0.518 . . . . 25.0 110.714 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.16 -42.47 84.24 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 122.123 -0.361 . . . . 25.0 111.101 175.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 36.6 mt -66.79 -41.19 88.02 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.41 -0.806 . . . . 25.0 110.454 -177.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.61 -32.53 14.55 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.584 0 N-CA-C 114.222 1.193 . . . . 25.0 114.222 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.9 t -122.94 -42.94 2.26 Favored 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.101 1.519 . . . . 25.0 115.101 -176.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.24 -42.23 97.15 Favored Glycine 0 C--O 1.221 -0.707 0 C-N-CA 120.587 -0.816 . . . . 25.0 113.192 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 84.9 mt-10 -71.46 -21.93 61.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -83.04 -39.53 21.11 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 121.362 0.601 . . . . 25.0 110.958 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 137.48 95.46 0.38 Allowed Glycine 0 C--O 1.223 -0.537 0 CA-C-N 113.989 -1.459 . . . . 25.0 110.759 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 137.11 112.14 1.12 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 121.412 -0.423 . . . . 25.0 112.605 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -156.94 156.24 32.71 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 107.864 -1.161 . . . . 25.0 107.864 178.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -110.14 -2.55 16.85 Favored 'General case' 0 C--O 1.221 -0.407 0 O-C-N 123.35 0.406 . . . . 25.0 111.785 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -78.73 79.64 3.29 Favored 'Trans proline' 0 C--N 1.399 3.195 0 C-N-CA 121.941 1.761 . . . . 25.0 112.875 178.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 64.7 p . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 124.871 2.272 . . . . 25.0 110.342 179.762 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.767 0 CA-C-O 123.084 1.38 . . . . 25.0 115.8 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.406 HD13 ' CD2' ' A' ' 19' ' ' TYR . 6.6 tp -53.92 -35.46 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 O-C-N 121.633 -0.922 . . . . 25.0 112.734 -177.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.45 -45.19 89.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 121.851 -0.53 . . . . 25.0 110.665 -178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -74.98 -30.67 61.25 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.635 0.731 . . . . 25.0 110.543 -179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -73.01 -40.37 65.25 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.827 -0.546 . . . . 25.0 112.404 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.4 m -105.85 -39.41 6.04 Favored 'General case' 0 C--O 1.22 -0.499 0 N-CA-C 115.824 1.787 . . . . 25.0 115.824 -175.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.4 t -80.7 -53.78 6.22 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.331 -1.359 . . . . 25.0 107.331 -176.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.8 m -70.21 -45.52 66.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.776 -0.647 . . . . 25.0 112.269 178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -116.35 -175.61 2.79 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 122.042 -0.411 . . . . 25.0 111.603 -176.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 34.2 mm -88.71 138.66 18.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.608 -1.256 . . . . 25.0 107.608 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.9 p -135.93 159.3 42.09 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.305 0.574 . . . . 25.0 111.501 175.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.9 t -122.85 164.61 18.09 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.044 -0.98 . . . . 25.0 109.341 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.24 -30.95 66.94 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 115.85 -0.614 . . . . 25.0 111.252 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -60.43 -42.6 96.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.433 -0.803 . . . . 25.0 110.71 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -75.92 -38.6 57.51 Favored 'General case' 0 C--O 1.218 -0.563 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.456 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 2.4 mp -54.83 -39.21 68.31 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.291 0.849 . . . . 25.0 113.291 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -58.68 -31.35 68.13 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 119.999 -0.68 . . . . 25.0 111.991 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -71.27 -20.07 62.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 121.314 -0.866 . . . . 25.0 111.036 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.456 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 83.2 m-85 -89.51 -4.24 58.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.735 0.303 . . . . 25.0 110.322 176.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.5 t -98.65 -15.19 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.245 1.021 . . . . 25.0 109.489 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 . . . . . 0 C--O 1.21 -1.017 0 CA-C-O 124.77 2.224 . . . . 25.0 111.669 -178.57 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.49 1.551 0 CA-C-O 123.376 1.56 . . . . 25.0 114.722 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.5 p -118.47 146.24 23.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 N-CA-C 106.771 -1.566 . . . . 25.0 106.771 174.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -72.74 132.78 44.08 Favored 'General case' 0 C--O 1.22 -0.472 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -165.79 -179.11 5.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 -173.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -82.45 133.68 35.21 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 171.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 18.9 mt -136.46 137.04 39.99 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.48 162.24 39.44 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 -177.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.64 -136.64 17.97 Favored Glycine 0 CA--C 1.521 0.464 0 N-CA-C 115.969 1.148 . . . . 25.0 115.969 177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 16.8 p -60.63 -30.23 69.74 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 122.463 -0.434 . . . . 25.0 111.97 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -66.79 -35.93 81.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.964 -0.46 . . . . 25.0 110.463 176.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.67 -44.13 82.63 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.702 -0.481 . . . . 25.0 109.702 174.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.9 t -61.7 -40.64 87.48 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 N-CA-C 109.757 -0.46 . . . . 25.0 109.757 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -61.14 -44.01 97.99 Favored 'General case' 0 C--O 1.214 -0.777 0 O-C-N 122.078 -0.389 . . . . 25.0 110.645 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -43.18 99.45 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.224 -0.59 . . . . 25.0 111.021 179.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.64 -37.65 88.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.708 0.289 . . . . 25.0 111.14 177.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -65.09 -41.62 94.82 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.989 -0.445 . . . . 25.0 110.474 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.49 -41.66 88.6 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.858 -0.526 . . . . 25.0 110.414 -175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.61 -36.82 17.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 t -114.84 -39.19 3.76 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 116.348 1.981 . . . . 25.0 116.348 -172.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.79 94.44 Favored Glycine 0 CA--C 1.518 0.232 0 N-CA-C 110.836 -0.906 . . . . 25.0 110.836 -179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -69.95 -8.12 46.3 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 122.507 0.323 . . . . 25.0 111.531 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.43 -5.33 24.21 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.024 0.44 . . . . 25.0 110.969 -177.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.94 83.0 1.03 Allowed Glycine 0 C--N 1.321 -0.301 0 C-N-CA 120.814 -0.707 . . . . 25.0 111.728 -178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 175.64 -128.58 1.41 Allowed Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 105.657 -2.977 . . . . 25.0 105.657 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.6 t80 65.48 165.73 0.18 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.915 1.286 . . . . 25.0 113.25 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -113.96 -2.18 13.62 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 120.883 0.373 . . . . 25.0 111.952 -173.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -77.69 81.54 2.64 Favored 'Trans proline' 0 C--N 1.397 3.115 0 C-N-CA 121.817 1.678 . . . . 25.0 112.625 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.209 -1.069 0 CA-C-O 124.01 1.862 . . . . 25.0 114.002 178.116 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 116.332 1.293 . . . . 25.0 116.332 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.497 HD11 HD22 ' B' ' 11' ' ' LEU . 18.3 tt -48.51 -34.58 5.51 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 N-CA-C 113.879 1.066 . . . . 25.0 113.879 -177.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 83.1 t -63.98 -44.67 97.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 O-C-N 121.193 -0.942 . . . . 25.0 109.912 -178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -79.68 -12.57 59.81 Favored 'General case' 0 C--N 1.319 -0.721 0 O-C-N 121.07 -1.019 . . . . 25.0 112.263 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -93.11 -28.56 16.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 176.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 75.6 m -114.25 -40.42 3.67 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.604 0.965 . . . . 25.0 113.604 -177.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.8 t -74.03 -52.61 12.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.092 -1.077 . . . . 25.0 108.092 178.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.8 m -73.41 -43.87 59.59 Favored 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.866 1.061 . . . . 25.0 113.866 -178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -118.13 -178.28 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.691 -0.631 . . . . 25.0 110.246 -177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mm -91.13 132.92 34.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 107.748 -1.204 . . . . 25.0 107.748 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -133.47 158.62 42.63 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.736 -0.839 . . . . 25.0 108.736 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.9 m -121.66 173.65 7.31 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.15 -0.477 . . . . 25.0 110.187 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.29 -27.7 56.32 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.015 0.436 . . . . 25.0 111.831 176.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -59.63 -47.58 85.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.607 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -72.4 -39.87 67.62 Favored 'General case' 0 CA--C 1.517 -0.302 0 N-CA-C 109.282 -0.636 . . . . 25.0 109.282 178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.425 ' HB3' HG11 ' B' ' 18' ' ' VAL . 5.9 mp -60.1 -33.24 71.83 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 113.438 0.903 . . . . 25.0 113.438 -176.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -59.72 -33.12 71.21 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.479 -0.888 . . . . 25.0 111.285 175.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -75.76 -13.96 60.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 121.69 -0.631 . . . . 25.0 110.671 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 16' ' ' LEU . 21.1 m-85 -90.2 5.67 46.03 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.213 -0.662 . . . . 25.0 109.213 175.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 38.4 t -118.76 -42.0 2.76 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.888 0.852 . . . . 25.0 109.164 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.4 t30 . . . . . 0 C--O 1.208 -1.097 0 CA-C-O 124.606 2.146 . . . . 25.0 110.447 175.883 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.7 t80 . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 123.176 1.465 . . . . 25.0 114.51 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.7 p -128.87 139.5 51.73 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 O-C-N 120.718 -1.239 . . . . 25.0 109.119 174.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.39 127.82 33.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.385 -0.825 . . . . 25.0 110.269 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 -163.93 176.61 9.26 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 106.854 -1.535 . . . . 25.0 106.854 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -73.72 132.32 42.55 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.323 -1.362 . . . . 25.0 107.323 174.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.7 mt -135.29 139.6 44.49 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.479 -0.934 . . . . 25.0 108.479 -177.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.24 162.46 39.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.423 -0.584 . . . . 25.0 109.423 -177.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.0 -137.93 16.73 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 115.529 0.972 . . . . 25.0 115.529 175.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -27.96 67.06 Favored 'General case' 0 C--O 1.216 -0.659 0 N-CA-C 113.068 0.766 . . . . 25.0 113.068 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -67.79 -38.05 82.83 Favored 'General case' 0 CA--C 1.531 0.245 0 O-C-N 121.55 -0.719 . . . . 25.0 109.726 176.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.497 HD22 HD11 ' A' ' 2' ' ' ILE . 0.6 OUTLIER -63.77 -44.78 92.4 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 174.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.73 -42.23 93.57 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.23 -0.441 . . . . 25.0 110.488 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -60.22 -45.63 92.54 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 121.331 -0.148 . . . . 25.0 110.616 178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.95 -41.74 98.31 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.526 -0.47 . . . . 25.0 110.766 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 mt -65.33 -36.15 83.16 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.839 0.352 . . . . 25.0 111.268 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -66.82 -40.58 88.07 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.171 -0.33 . . . . 25.0 110.672 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.8 mt -67.57 -41.49 84.09 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 121.546 -0.721 . . . . 25.0 110.157 -177.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.425 HG11 ' HB3' ' A' ' 16' ' ' LEU . 12.9 p -79.84 -33.13 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 N-CA-C 113.775 1.028 . . . . 25.0 113.775 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 2.9 t -122.04 -32.86 3.63 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 117.435 2.383 . . . . 25.0 117.435 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.82 -44.26 80.65 Favored Glycine 0 C--O 1.222 -0.645 0 N-CA-C 110.535 -1.026 . . . . 25.0 110.535 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -72.08 -15.51 62.01 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.411 0.625 . . . . 25.0 111.412 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 ttt85 -79.32 -20.31 48.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.561 -0.745 . . . . 25.0 111.002 177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.36 19.42 9.38 Favored Glycine 0 C--O 1.226 -0.362 0 CA-C-N 115.519 -0.764 . . . . 25.0 114.306 178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.92 -130.53 3.87 Favored Glycine 0 C--O 1.23 -0.15 0 N-CA-C 109.872 -1.291 . . . . 25.0 109.872 176.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 t80 68.85 168.54 0.28 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.522 1.129 . . . . 25.0 114.025 175.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -117.41 -12.51 10.43 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 112.996 0.739 . . . . 25.0 112.996 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -79.61 80.31 3.11 Favored 'Trans proline' 0 C--N 1.398 3.141 0 C-N-CA 122.082 1.855 . . . . 25.0 112.449 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.491 1.614 0 C-N-CA 128.427 2.691 . . . . 25.0 115.859 -179.151 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.759 0 CA-C-O 122.756 1.198 . . . . 25.0 114.073 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.7 tp -164.62 -37.35 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 CA-C-N 114.495 -0.853 . . . . 25.0 111.214 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.6 t -60.38 -48.59 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.182 -0.463 . . . . 25.0 112.112 -174.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -79.69 13.33 2.14 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -114.92 -45.55 2.97 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 25.0 109.991 174.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 30.5 m -93.83 -35.82 12.54 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 114.826 1.417 . . . . 25.0 114.826 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.1 t -80.5 -26.75 38.0 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.4 m -96.81 -42.92 7.74 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 113.091 0.774 . . . . 25.0 113.091 -177.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.6 m -115.81 -177.01 3.06 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 122.167 -0.333 . . . . 25.0 110.327 -178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.0 mm -89.21 130.13 39.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -128.89 152.49 48.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.771 0.32 . . . . 25.0 110.352 176.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 25.1 t -121.19 168.73 11.27 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 108.312 -0.995 . . . . 25.0 108.312 -175.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -55.56 -33.71 64.1 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.546 0.689 . . . . 25.0 112.064 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -57.89 -44.19 86.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.199 -0.91 . . . . 25.0 111.031 177.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -74.96 -41.12 60.21 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.357 -0.609 . . . . 25.0 109.357 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.484 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.6 mm? -52.52 -39.14 61.01 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.139 0.576 . . . . 25.0 111.478 -178.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -57.77 -31.89 66.96 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.817 1.043 . . . . 25.0 113.817 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.17 -19.7 64.0 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.309 -0.869 . . . . 25.0 111.026 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -87.43 -3.47 59.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.945 0.402 . . . . 25.0 109.935 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 30.7 m -84.2 -7.13 59.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.193 0.997 . . . . 25.0 109.991 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 . . . . . 0 C--O 1.21 -0.997 0 CA-C-O 125.172 2.415 . . . . 25.0 110.715 177.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 123.291 1.52 . . . . 25.0 114.846 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.5 p -126.69 142.76 42.31 Favored 'Isoleucine or valine' 0 C--N 1.344 0.353 0 N-CA-C 106.44 -1.689 . . . . 25.0 106.44 173.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -76.06 130.56 38.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.854 -0.612 . . . . 25.0 109.579 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -166.13 -179.66 5.24 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.141 -0.689 . . . . 25.0 109.141 -172.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -80.27 79.67 6.81 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 123.401 0.438 . . . . 25.0 111.241 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 36.4 mt -77.13 133.64 38.93 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.136 0.493 . . . . 25.0 110.196 -179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -144.92 162.45 36.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.278 -0.419 . . . . 25.0 110.063 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.44 -136.34 27.07 Favored Glycine 0 N--CA 1.453 -0.215 0 N-CA-C 116.784 1.474 . . . . 25.0 116.784 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.69 -30.26 69.82 Favored 'General case' 0 C--O 1.22 -0.462 0 O-C-N 122.341 -0.505 . . . . 25.0 111.262 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -38.44 87.19 Favored 'General case' 0 C--O 1.235 0.335 0 O-C-N 121.938 -0.476 . . . . 25.0 109.741 177.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.37 -43.44 94.52 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 109.374 -0.602 . . . . 25.0 109.374 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -62.59 -41.91 93.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 120.901 -0.319 . . . . 25.0 110.357 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.25 -41.61 97.21 Favored 'General case' 0 C--O 1.214 -0.791 0 O-C-N 122.26 -0.275 . . . . 25.0 110.625 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.1 -46.2 88.46 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 120.916 -0.314 . . . . 25.0 110.43 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mt -60.95 -39.0 87.85 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.904 0.383 . . . . 25.0 110.111 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -65.4 -44.03 88.75 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.663 -0.244 . . . . 25.0 111.223 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.6 mt -69.07 -39.62 78.99 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.1 -0.64 . . . . 25.0 111.826 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.484 HG11 ' HB3' ' A' ' 16' ' ' LEU . 11.7 p -79.49 -34.75 16.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 112.341 0.497 . . . . 25.0 112.341 -177.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 24.9 m -129.97 -35.86 1.6 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 115.196 1.554 . . . . 25.0 115.196 -174.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.02 -26.72 67.73 Favored Glycine 0 C--O 1.218 -0.871 0 C-N-CA 120.485 -0.864 . . . . 25.0 112.211 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -85.81 11.94 10.14 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.726 0.639 . . . . 25.0 112.726 177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.79 -42.32 0.59 Allowed 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.125 0.787 . . . . 25.0 113.125 179.495 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.67 131.77 2.53 Favored Glycine 0 C--O 1.223 -0.58 0 N-CA-C 107.32 -2.312 . . . . 25.0 107.32 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 110.98 74.26 0.74 Allowed Glycine 0 N--CA 1.462 0.379 0 N-CA-C 111.418 -0.673 . . . . 25.0 111.418 -177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -148.54 138.02 21.99 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.658 -1.608 . . . . 25.0 106.658 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -109.31 -2.5 17.81 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.498 0.555 . . . . 25.0 112.498 -174.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -75.75 83.57 1.91 Allowed 'Trans proline' 0 C--N 1.395 2.996 0 C-N-CA 121.852 1.702 . . . . 25.0 112.829 174.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.032 0 C-N-CA 127.574 2.35 . . . . 25.0 110.711 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.459 0 CA-C-O 123.298 1.499 . . . . 25.0 114.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.7 tt -57.31 -32.71 41.75 Favored 'Isoleucine or valine' 0 C--N 1.348 0.533 0 O-C-N 121.8 -0.824 . . . . 25.0 112.054 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.5 t -63.84 -49.91 79.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 O-C-N 121.563 -0.71 . . . . 25.0 109.39 -176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -72.74 -26.18 61.47 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -87.52 -24.63 24.01 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 113.959 1.096 . . . . 25.0 113.959 179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.7 t -119.83 -40.63 2.73 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 114.968 1.47 . . . . 25.0 114.968 -173.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.9 t -78.18 -55.24 5.42 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 107.812 -1.181 . . . . 25.0 107.812 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.5 m -72.25 -42.69 65.37 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.62 0.6 . . . . 25.0 112.62 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.8 m -112.71 -176.75 2.98 Favored 'General case' 0 C--O 1.219 -0.541 0 O-C-N 122.032 -0.417 . . . . 25.0 111.659 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.4 mm -86.05 122.88 39.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.315 -0.994 . . . . 25.0 108.315 178.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.6 p -107.99 156.36 19.31 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.385 0.612 . . . . 25.0 110.36 176.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.7 m -123.87 159.42 29.67 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.114 -1.439 . . . . 25.0 107.114 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -55.45 -32.88 63.14 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 122.608 0.363 . . . . 25.0 111.91 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -60.53 -43.96 96.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.121 0.486 . . . . 25.0 111.902 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -72.46 -37.06 68.61 Favored 'General case' 0 C--O 1.221 -0.44 0 N-CA-C 109.084 -0.71 . . . . 25.0 109.084 177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 mp -59.95 -32.26 70.64 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.177 -0.609 . . . . 25.0 112.047 179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -59.06 -35.3 73.11 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 121.851 -0.531 . . . . 25.0 111.226 174.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -72.21 -16.89 61.96 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.682 -0.636 . . . . 25.0 110.969 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -94.37 1.2 55.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.998 -0.546 . . . . 25.0 109.941 177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.0 t -102.12 -47.93 4.38 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 107.493 -1.299 . . . . 25.0 107.493 175.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 C--O 1.209 -1.042 0 CA-C-O 123.158 1.456 . . . . 25.0 112.283 177.528 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 115.266 1.58 . . . . 25.0 115.266 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.06 136.65 55.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.355 0 O-C-N 120.911 -1.118 . . . . 25.0 108.557 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -71.74 127.03 31.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.949 -0.569 . . . . 25.0 110.912 177.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -166.26 177.63 6.75 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -174.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -75.71 130.42 38.66 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 108.385 -0.969 . . . . 25.0 108.385 175.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 15.7 mt -136.57 140.24 42.75 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.454 -1.313 . . . . 25.0 107.454 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -148.91 165.78 30.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.65 -138.37 24.59 Favored Glycine 0 CA--C 1.52 0.381 0 N-CA-C 114.849 0.7 . . . . 25.0 114.849 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -59.54 -27.59 66.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -37.62 78.98 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.922 -0.486 . . . . 25.0 110.735 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.09 -47.19 83.96 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 173.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 72.2 t -60.64 -42.68 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 116.288 -0.414 . . . . 25.0 110.525 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -60.77 -43.93 97.4 Favored 'General case' 0 C--O 1.213 -0.849 0 O-C-N 122.038 -0.413 . . . . 25.0 111.851 177.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.2 95.4 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.613 -0.435 . . . . 25.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.73 -36.21 83.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.277 0.56 . . . . 25.0 109.888 178.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -65.72 -43.31 89.47 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.903 -0.498 . . . . 25.0 110.887 175.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 54.4 mt -65.51 -41.63 92.94 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 121.649 -0.657 . . . . 25.0 110.903 -176.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 15.0 p -77.81 -36.74 22.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 113.266 0.839 . . . . 25.0 113.266 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 13.6 t -122.5 -40.64 2.45 Favored 'General case' 0 C--O 1.22 -0.455 0 N-CA-C 114.831 1.419 . . . . 25.0 114.831 -172.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.01 -35.04 86.0 Favored Glycine 0 C--N 1.318 -0.422 0 C-N-CA 120.378 -0.915 . . . . 25.0 112.262 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -72.66 -6.54 45.07 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.716 0.636 . . . . 25.0 112.716 176.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.6 -27.62 10.25 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 122.017 -0.427 . . . . 25.0 111.514 177.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.97 140.66 5.87 Favored Glycine 0 N--CA 1.445 -0.713 0 N-CA-C 109.47 -1.452 . . . . 25.0 109.47 -177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.55 21.87 8.06 Favored Glycine 0 C--O 1.222 -0.62 0 N-CA-C 115.206 0.842 . . . . 25.0 115.206 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -79.68 152.33 29.99 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 117.493 0.647 . . . . 25.0 111.876 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -110.87 -2.33 16.13 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.607 0.965 . . . . 25.0 113.607 -175.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_endo -80.35 83.8 2.15 Favored 'Trans proline' 0 C--N 1.394 2.965 0 C-N-CA 122.257 1.971 . . . . 25.0 112.487 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.9 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 125.177 2.417 . . . . 25.0 111.945 -179.098 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.488 0 CA-C-O 123.163 1.424 . . . . 25.0 116.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.7 tt -55.7 -34.73 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 O-C-N 121.157 -1.202 . . . . 25.0 112.612 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.08 -38.55 82.72 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 O-C-N 121.389 -0.82 . . . . 25.0 110.775 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -74.34 -28.14 61.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.161 0.505 . . . . 25.0 111.303 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -84.1 -37.88 21.46 Favored 'General case' 0 C--O 1.209 -1.069 0 N-CA-C 112.875 0.694 . . . . 25.0 112.875 179.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.0 m -104.71 -42.21 5.45 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 114.9 1.445 . . . . 25.0 114.9 -174.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.7 t -76.88 -56.67 4.39 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 118.664 -1.214 . . . . 25.0 108.357 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -69.18 -43.68 73.73 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.656 0.613 . . . . 25.0 112.656 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m -116.32 -173.2 2.32 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.148 -0.345 . . . . 25.0 111.32 -177.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -93.61 133.51 34.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 107.245 -1.391 . . . . 25.0 107.245 177.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.7 p -132.66 160.26 37.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.375 0.607 . . . . 25.0 110.123 175.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.7 p -116.07 166.89 11.49 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.223 -0.899 . . . . 25.0 110.585 -176.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.6 -28.12 66.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.158 -0.474 . . . . 25.0 111.544 177.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -63.68 -44.37 93.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.343 0.592 . . . . 25.0 110.318 178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -72.02 -36.99 69.85 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.237 -0.653 . . . . 25.0 109.237 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -57.56 -39.56 76.96 Favored 'General case' 0 C--O 1.216 -0.673 0 C-N-CA 120.553 -0.459 . . . . 25.0 111.43 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -59.09 -30.24 67.95 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.008 0.744 . . . . 25.0 113.008 176.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -72.52 -18.59 61.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 121.215 -0.928 . . . . 25.0 109.721 -179.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -85.31 -4.74 59.26 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.072 -0.393 . . . . 25.0 110.126 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 22.7 m -95.12 -9.89 32.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.399 1.095 . . . . 25.0 109.623 176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 t30 . . . . . 0 C--O 1.218 -0.585 0 CA-C-O 125.045 2.355 . . . . 25.0 111.94 -175.652 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.3 t80 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 123.202 1.477 . . . . 25.0 114.806 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -123.17 146.66 28.14 Favored 'Isoleucine or valine' 0 C--O 1.242 0.694 0 N-CA-C 107.654 -1.239 . . . . 25.0 107.654 173.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.97 135.26 44.97 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.432 -1.321 . . . . 25.0 107.432 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -168.13 177.99 5.26 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 106.867 -1.531 . . . . 25.0 106.867 -174.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -78.11 133.75 37.81 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.35 -1.352 . . . . 25.0 107.35 171.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.6 mt -135.21 137.32 42.52 Favored 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 107.924 -1.139 . . . . 25.0 107.924 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -149.6 162.72 39.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.893 -0.41 . . . . 25.0 109.893 -177.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.46 -138.95 16.63 Favored Glycine 0 CA--C 1.521 0.424 0 N-CA-C 115.716 1.047 . . . . 25.0 115.716 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.61 -28.34 67.1 Favored 'General case' 0 C--O 1.217 -0.61 0 CA-C-N 115.445 -0.378 . . . . 25.0 112.019 179.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -69.22 -36.41 77.2 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 122.079 -0.388 . . . . 25.0 110.529 176.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.76 -46.74 86.61 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 108.563 -0.903 . . . . 25.0 108.563 173.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -63.55 -38.47 82.32 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 C-N-CA 120.692 -0.403 . . . . 25.0 110.79 -179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.7 -43.89 97.64 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 121.956 -0.465 . . . . 25.0 111.352 177.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.81 -42.17 97.73 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.38 -36.82 83.47 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.471 -0.331 . . . . 25.0 110.636 176.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 55.2 t80 -65.68 -42.22 91.5 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 121.718 -0.614 . . . . 25.0 110.578 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 44.4 mt -66.9 -38.6 86.56 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.281 -0.568 . . . . 25.0 110.857 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.6 p -83.83 -33.63 9.6 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 N-CA-C 114.33 1.233 . . . . 25.0 114.33 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.6 m -125.88 -26.94 3.38 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 115.467 1.655 . . . . 25.0 115.467 -172.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -70.6 -30.04 69.09 Favored Glycine 0 C--O 1.222 -0.649 0 N-CA-C 109.39 -1.484 . . . . 25.0 109.39 178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -88.13 11.5 16.08 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 122.945 0.498 . . . . 25.0 110.973 176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.98 -33.37 2.0 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 -176.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.49 131.21 5.75 Favored Glycine 0 C--O 1.226 -0.384 0 N-CA-C 109.0 -1.64 . . . . 25.0 109.0 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 111.3 53.37 0.54 Allowed Glycine 0 C--O 1.225 -0.44 0 CA-C-O 121.139 0.299 . . . . 25.0 112.452 -177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -116.74 143.87 45.14 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.806 -0.812 . . . . 25.0 108.806 -178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -113.3 -3.31 13.84 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.145 0.794 . . . . 25.0 113.145 -174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -78.93 88.26 1.47 Allowed 'Trans proline' 0 C--N 1.396 3.066 0 C-N-CA 121.81 1.673 . . . . 25.0 111.792 173.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 126.542 3.068 . . . . 25.0 113.355 -178.459 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.583 0 CA-C-O 123.871 1.817 . . . . 25.0 114.133 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.5 tt -54.62 -33.96 28.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 O-C-N 120.693 -1.475 . . . . 25.0 114.251 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -65.77 -44.77 93.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 108.399 -0.964 . . . . 25.0 108.399 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -74.26 -15.52 60.98 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-N 116.101 -0.5 . . . . 25.0 112.305 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -90.38 -39.64 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.147 0.425 . . . . 25.0 112.147 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.8 m -109.03 -40.56 4.96 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 114.307 1.225 . . . . 25.0 114.307 -174.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 t -77.77 -17.08 57.91 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.027 -0.669 . . . . 25.0 109.743 -179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -106.96 -56.16 2.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.389 -0.368 . . . . 25.0 111.78 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.09 -175.92 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 121.782 -0.574 . . . . 25.0 111.556 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 31.5 mm -86.48 133.39 29.92 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 175.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 19.0 p -133.0 160.62 36.63 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.278 -1.008 . . . . 25.0 108.278 175.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -126.47 175.36 7.95 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.074 0.464 . . . . 25.0 109.874 -176.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.47 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.8 OUTLIER -55.33 -32.68 62.71 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.512 -0.767 . . . . 25.0 111.706 177.436 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -59.73 -48.77 80.36 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.178 0.513 . . . . 25.0 111.363 177.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -67.73 -41.49 83.37 Favored 'General case' 0 C--O 1.214 -0.777 0 C-N-CA 120.167 -0.613 . . . . 25.0 109.469 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 mp -58.49 -35.8 72.78 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.907 0.706 . . . . 25.0 112.907 -177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -61.45 -29.81 70.19 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.296 -0.561 . . . . 25.0 111.578 176.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -71.02 -17.1 62.64 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 121.432 -0.792 . . . . 25.0 110.485 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -95.63 -1.86 49.38 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-O 121.217 0.532 . . . . 25.0 109.689 179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.1 t -99.5 -41.24 7.46 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.601 -0.888 . . . . 25.0 108.601 177.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 . . . . . 0 C--O 1.209 -1.04 0 CA-C-O 126.201 2.905 . . . . 25.0 112.898 178.208 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 114.394 1.257 . . . . 25.0 114.394 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.63 143.88 39.29 Favored 'Isoleucine or valine' 0 C--N 1.351 0.631 0 O-C-N 120.804 -1.185 . . . . 25.0 107.885 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 13.2 p-10 -78.84 125.66 29.66 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.9 pt20 -163.07 177.76 8.86 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 107.288 -1.375 . . . . 25.0 107.288 -174.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -76.21 134.38 39.88 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 173.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.4 mt -138.01 143.25 40.52 Favored 'General case' 0 CA--C 1.507 -0.693 0 N-CA-C 109.366 -0.605 . . . . 25.0 109.366 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -151.9 164.5 36.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.579 -0.282 . . . . 25.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.72 -140.08 16.21 Favored Glycine 0 C--O 1.221 -0.662 0 N-CA-C 116.351 1.3 . . . . 25.0 116.351 177.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -60.14 -26.72 66.5 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.484 -0.421 . . . . 25.0 111.846 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.45 -38.49 81.16 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.874 -0.516 . . . . 25.0 110.17 176.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.4 -44.67 94.0 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 109.071 -0.714 . . . . 25.0 109.071 174.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.96 -43.24 97.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.312 -0.403 . . . . 25.0 110.162 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.58 -45.15 95.02 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 118.149 0.431 . . . . 25.0 110.67 178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -41.32 96.78 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.46 -0.496 . . . . 25.0 110.781 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.07 -36.41 84.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.863 0.363 . . . . 25.0 111.32 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -67.79 -40.04 83.98 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.286 -0.258 . . . . 25.0 110.811 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 63.3 mt -68.85 -38.52 79.82 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.056 -0.403 . . . . 25.0 111.307 -178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.55 -34.05 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 t -131.08 -23.71 2.43 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 116.74 2.126 . . . . 25.0 116.74 -172.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.404 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -68.67 -29.42 72.77 Favored Glycine 0 C--O 1.218 -0.875 0 C-N-CA 120.46 -0.876 . . . . 25.0 111.796 -179.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -94.8 23.55 5.39 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-O 121.779 0.8 . . . . 25.0 110.555 175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tmm_? -136.18 -36.46 0.74 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.73 -0.668 . . . . 25.0 111.513 -176.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -127.78 -139.01 4.77 Favored Glycine 0 C--O 1.216 -1.025 0 N-CA-C 110.193 -1.163 . . . . 25.0 110.193 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.57 -26.65 8.49 Favored Glycine 0 C--O 1.225 -0.417 0 CA-C-N 114.425 -0.888 . . . . 25.0 114.862 -177.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.404 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 2.9 t80 59.32 -167.08 0.17 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.358 0.663 . . . . 25.0 111.641 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -140.92 -13.52 0.94 Allowed 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 -177.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -81.09 83.62 2.16 Favored 'Trans proline' 0 C--N 1.389 2.711 0 C-N-CA 122.147 1.898 . . . . 25.0 112.919 177.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 16.9 p . . . . . 0 N--CA 1.498 1.926 0 CA-C-O 126.279 2.942 . . . . 25.0 113.924 -178.81 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 CA-C-O 123.104 1.391 . . . . 25.0 116.199 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.0 tp -54.69 -33.31 27.24 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 O-C-N 121.338 -1.095 . . . . 25.0 113.047 -178.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.79 -44.51 89.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 O-C-N 121.901 -0.5 . . . . 25.0 111.102 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -69.71 -30.84 68.57 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.404 0.621 . . . . 25.0 111.273 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -77.4 -41.63 39.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.732 -0.667 . . . . 25.0 112.76 -178.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 88.8 m -106.99 -38.48 6.02 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 116.158 1.91 . . . . 25.0 116.158 -174.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.3 t -80.31 -53.1 6.95 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.75 -1.574 . . . . 25.0 106.75 -177.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.6 m -72.26 -42.7 65.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.105 -0.952 . . . . 25.0 112.441 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 m -118.22 -173.17 2.4 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 120.7 0.286 . . . . 25.0 111.269 -177.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.8 mm -94.94 133.44 35.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 107.56 -1.274 . . . . 25.0 107.56 178.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -135.17 160.5 38.17 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 107.16 -1.422 . . . . 25.0 107.16 176.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.3 t -127.29 177.39 6.74 Favored 'General case' 0 C--O 1.242 0.662 0 N-CA-C 109.587 -0.523 . . . . 25.0 109.587 -177.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -30.96 64.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 122.665 0.386 . . . . 25.0 111.69 179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -60.78 -46.29 91.06 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.365 0.602 . . . . 25.0 110.342 -178.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -71.08 -42.85 68.84 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 107.694 -1.224 . . . . 25.0 107.694 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 2.5 mp -56.4 -36.75 69.27 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.4 1.259 . . . . 25.0 114.4 -176.309 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -59.34 -30.82 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.287 0.477 . . . . 25.0 112.287 177.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -70.47 -15.6 62.83 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.849 -0.532 . . . . 25.0 111.096 -178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.431 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 90.6 m-85 -96.37 9.35 41.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.521 0.677 . . . . 25.0 109.941 178.197 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -124.87 -40.71 2.16 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.19 -0.914 . . . . 25.0 111.216 -178.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.2 t30 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 126.369 2.985 . . . . 25.0 112.016 -179.951 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 9.9 t80 . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 123.347 1.546 . . . . 25.0 114.043 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.53 138.01 55.4 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.229 -0.896 . . . . 25.0 109.312 177.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -79.39 132.33 36.37 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.296 -1.002 . . . . 25.0 108.296 -179.045 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -166.46 177.39 6.74 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 106.669 -1.604 . . . . 25.0 106.669 -174.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -73.92 132.78 42.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 172.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.9 mt -135.12 131.85 37.37 Favored 'General case' 0 C--O 1.213 -0.842 0 N-CA-C 107.568 -1.271 . . . . 25.0 107.568 -176.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -144.78 161.9 38.1 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.038 -0.726 . . . . 25.0 109.038 -176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 49.4 -136.94 21.17 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 116.141 1.216 . . . . 25.0 116.141 177.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.6 p -61.17 -29.71 69.96 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.483 -0.358 . . . . 25.0 111.784 179.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -41.44 97.91 Favored 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 109.66 -0.496 . . . . 25.0 109.66 176.172 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.71 -44.97 88.54 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.441 -0.345 . . . . 25.0 110.389 175.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -60.77 -41.79 89.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 C-N-CA 121.011 -0.276 . . . . 25.0 110.28 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -62.55 -41.21 98.76 Favored 'General case' 0 C--O 1.219 -0.511 0 O-C-N 122.012 -0.43 . . . . 25.0 111.544 178.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.32 93.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 120.412 -0.515 . . . . 25.0 110.661 178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mt -62.16 -36.86 83.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 123.611 0.569 . . . . 25.0 110.998 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -66.13 -41.09 90.96 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.097 0.475 . . . . 25.0 111.698 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 50.8 mt -70.61 -39.89 73.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.57 -0.706 . . . . 25.0 111.945 -177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 p -77.56 -36.83 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.566 0.58 . . . . 25.0 112.566 -179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.83 -26.63 2.18 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 117.494 2.405 . . . . 25.0 117.494 -173.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.407 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -66.66 -37.78 92.72 Favored Glycine 0 C--O 1.223 -0.546 0 C-N-CA 120.167 -1.016 . . . . 25.0 110.931 -177.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -79.53 -7.7 58.65 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.649 0.737 . . . . 25.0 110.484 177.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -99.65 9.28 43.41 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.267 -0.878 . . . . 25.0 109.896 178.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.95 17.9 73.68 Favored Glycine 0 N--CA 1.463 0.451 0 N-CA-C 116.474 1.35 . . . . 25.0 116.474 177.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -124.55 71.1 0.45 Allowed Glycine 0 C--N 1.319 -0.391 0 CA-C-O 119.654 -0.526 . . . . 25.0 112.024 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.407 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 1.2 t80 -126.84 151.15 48.73 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 117.102 0.451 . . . . 25.0 111.514 -179.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.7 p90 -114.11 -4.54 13.13 Favored 'General case' 0 C--O 1.219 -0.523 0 N-CA-C 112.397 0.518 . . . . 25.0 112.397 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -80.73 80.44 3.02 Favored 'Trans proline' 0 C--N 1.392 2.863 0 C-N-CA 122.075 1.85 . . . . 25.0 112.355 174.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 124.689 2.185 . . . . 25.0 109.515 176.437 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 CA-C-O 122.738 1.188 . . . . 25.0 114.935 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -57.38 -30.99 37.18 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 O-C-N 121.021 -1.282 . . . . 25.0 112.305 -177.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.5 t -66.13 -46.98 86.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 121.656 -0.653 . . . . 25.0 110.474 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -72.01 -31.33 66.1 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.338 -0.851 . . . . 25.0 111.722 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -37.35 60.36 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 112.66 0.615 . . . . 25.0 112.66 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 99.1 m -111.51 -40.72 4.28 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 116.263 1.949 . . . . 25.0 116.263 -175.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 79.1 m -74.91 -52.21 11.85 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 105.873 -1.899 . . . . 25.0 105.873 -178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.6 m -75.86 -43.6 44.88 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -116.08 -176.1 2.88 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 113.353 0.871 . . . . 25.0 113.353 -177.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.9 mm -91.41 130.72 40.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 107.504 -1.295 . . . . 25.0 107.504 178.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.2 p -129.7 155.6 45.63 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.331 -0.618 . . . . 25.0 109.331 176.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.4 m -118.45 162.52 18.19 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.874 -1.057 . . . . 25.0 109.879 -175.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -33.99 58.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.612 -0.722 . . . . 25.0 111.759 178.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -58.83 -45.91 88.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.943 -0.572 . . . . 25.0 111.956 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -76.26 -34.52 59.15 Favored 'General case' 0 CA--C 1.513 -0.466 0 C-N-CA 119.483 -0.887 . . . . 25.0 109.568 177.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 1.5 mp -54.95 -38.23 67.46 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -53.62 -36.5 62.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 111.994 0.368 . . . . 25.0 111.994 176.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -67.99 -25.94 65.66 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 121.584 -0.697 . . . . 25.0 111.145 -177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.413 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 98.0 m-85 -81.45 -9.67 59.67 Favored 'General case' 0 C--O 1.219 -0.528 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 26.7 t -92.6 -35.64 13.43 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.15 -1.056 . . . . 25.0 108.15 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.1 t30 . . . . . 0 C--O 1.213 -0.846 0 CA-C-O 123.248 1.499 . . . . 25.0 113.658 177.479 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 1.5 t80 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 123.069 1.414 . . . . 25.0 113.992 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -114.76 146.97 18.53 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 107.072 -1.455 . . . . 25.0 107.072 173.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -73.92 136.28 43.31 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.352 -0.981 . . . . 25.0 108.352 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -167.9 178.69 5.05 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.245 -1.391 . . . . 25.0 107.245 -171.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -77.54 134.89 38.17 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.162 -1.422 . . . . 25.0 107.162 171.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 21.9 mt -136.58 136.85 39.59 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 108.292 -1.003 . . . . 25.0 108.292 -178.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 t -153.64 164.39 38.36 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.488 -0.56 . . . . 25.0 109.488 179.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.38 -139.73 29.96 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 114.621 0.608 . . . . 25.0 114.621 177.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -30.27 69.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.587 -0.307 . . . . 25.0 111.528 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 t-160 -64.21 -38.55 91.46 Favored 'General case' 0 C--N 1.331 -0.233 0 O-C-N 122.056 -0.403 . . . . 25.0 110.586 175.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.65 -42.86 90.94 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 109.689 -0.485 . . . . 25.0 109.689 175.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -61.3 -43.5 96.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 CA-C-O 120.79 0.329 . . . . 25.0 110.363 179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -59.97 -44.28 94.57 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.842 0.353 . . . . 25.0 110.589 177.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.23 93.61 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.477 -0.489 . . . . 25.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -63.24 -37.72 88.35 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.466 . . . . 25.0 110.898 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -66.28 -40.86 90.37 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.511 -0.313 . . . . 25.0 111.009 176.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 43.4 mt -67.2 -41.6 85.55 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 121.7 -0.625 . . . . 25.0 110.79 -177.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 16' ' ' LEU . 12.3 p -79.61 -33.84 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 113.376 0.88 . . . . 25.0 113.376 -177.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 12.9 t -125.44 -34.21 2.72 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 115.939 1.829 . . . . 25.0 115.939 -175.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.63 -33.78 88.14 Favored Glycine 0 C--O 1.216 -1.014 0 C-N-CA 120.344 -0.932 . . . . 25.0 112.413 -178.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -81.13 14.23 2.42 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 121.484 0.659 . . . . 25.0 111.917 176.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -124.67 -28.45 3.55 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 123.126 0.57 . . . . 25.0 112.034 -178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.21 -131.87 3.1 Favored Glycine 0 C--O 1.216 -0.979 0 N-CA-C 111.04 -0.824 . . . . 25.0 111.04 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -109.22 -24.57 5.91 Favored Glycine 0 C--O 1.224 -0.503 0 N-CA-C 115.29 0.876 . . . . 25.0 115.29 -177.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.5 t80 64.76 -179.9 0.18 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 124.145 0.978 . . . . 25.0 111.761 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -126.65 -0.23 6.79 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.295 0.569 . . . . 25.0 111.76 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -79.97 77.2 4.17 Favored 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.276 1.984 . . . . 25.0 112.269 177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 124.936 2.303 . . . . 25.0 110.11 -179.644 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 CA-C-O 122.984 1.324 . . . . 25.0 114.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.0 tp -56.68 -32.25 37.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 O-C-N 121.345 -1.091 . . . . 25.0 112.627 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 81.1 t -67.03 -43.0 89.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 121.866 -0.521 . . . . 25.0 109.802 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -70.92 -36.66 72.77 Favored 'General case' 0 C--O 1.214 -0.79 0 CA-C-O 122.011 0.91 . . . . 25.0 109.62 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -67.03 -42.57 84.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.595 -0.73 . . . . 25.0 112.693 -177.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 93.5 m -110.24 -35.26 6.13 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 116.071 1.878 . . . . 25.0 116.071 -173.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.74 -51.2 8.93 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 -177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 55.9 m -72.65 -48.86 35.83 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.686 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 62.5 p -114.24 -176.13 2.83 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.534 -0.729 . . . . 25.0 111.993 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.51 132.62 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 107.035 -1.469 . . . . 25.0 107.035 179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.47 164.35 21.33 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.221 -0.659 . . . . 25.0 109.221 176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.9 m -129.95 164.48 24.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.325 -0.991 . . . . 25.0 108.325 -176.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 pp -55.94 -33.7 64.98 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 121.103 0.477 . . . . 25.0 112.209 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.31 -45.26 91.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.096 -0.502 . . . . 25.0 110.948 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -70.0 -41.05 74.89 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mp -56.76 -35.85 69.12 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 113.366 0.876 . . . . 25.0 113.366 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -56.83 -33.08 66.4 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -67.82 -18.72 64.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 121.532 -0.73 . . . . 25.0 111.401 -177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -91.37 -5.76 53.99 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.65 -0.25 . . . . 25.0 111.127 -178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 60.9 m -74.8 -21.15 59.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.149 0.5 . . . . 25.0 111.869 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 123.311 1.529 . . . . 25.0 113.217 173.765 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 7.1 t80 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 122.929 1.347 . . . . 25.0 114.521 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.4 p -134.57 146.45 30.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 107.82 -1.178 . . . . 25.0 107.82 174.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -75.05 127.6 33.59 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.443 0.64 . . . . 25.0 109.76 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -164.27 177.58 8.2 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -173.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -77.37 136.14 38.4 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 172.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 24.6 mt -137.77 139.04 39.84 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.411 -0.959 . . . . 25.0 108.411 -179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.44 164.7 33.34 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 -177.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.02 -140.98 21.54 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 116.267 1.267 . . . . 25.0 116.267 176.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 17.0 p -60.52 -31.4 70.48 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 115.345 -0.428 . . . . 25.0 111.106 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -37.62 88.09 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.911 -0.493 . . . . 25.0 110.955 176.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.34 -45.34 84.61 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.55 -0.537 . . . . 25.0 109.55 174.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 99.8 t -59.68 -42.08 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 N-CA-C 109.731 -0.47 . . . . 25.0 109.731 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -62.17 -44.45 96.57 Favored 'General case' 0 C--O 1.211 -0.932 0 O-C-N 122.426 -0.171 . . . . 25.0 111.185 178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.19 -43.01 99.55 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.017 -0.427 . . . . 25.0 110.787 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mt -62.76 -38.46 90.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 25.0 110.994 177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -65.19 -40.4 94.18 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.843 -0.535 . . . . 25.0 111.047 175.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 38.3 mt -68.97 -38.45 79.37 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.511 -0.743 . . . . 25.0 110.853 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.9 p -78.86 -35.95 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 25.0 113.311 179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 7.2 m -120.26 -38.4 2.92 Favored 'General case' 0 C--O 1.218 -0.558 0 N-CA-C 116.961 2.208 . . . . 25.0 116.961 -175.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.82 -31.65 81.62 Favored Glycine 0 C--O 1.22 -0.74 0 C-N-CA 120.462 -0.875 . . . . 25.0 112.14 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -85.05 1.01 49.6 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 120.919 0.39 . . . . 25.0 111.555 176.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 51.5 ttm-85 -109.0 -37.63 5.78 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.02 0.528 . . . . 25.0 110.741 -178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.08 117.55 1.74 Allowed Glycine 0 C--O 1.225 -0.448 0 N-CA-C 109.908 -1.277 . . . . 25.0 109.908 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.61 108.3 2.63 Favored Glycine 0 CA--C 1.522 0.478 0 C-N-CA 121.134 -0.555 . . . . 25.0 113.481 179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -157.39 156.36 32.12 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.273 -1.751 . . . . 25.0 106.273 176.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -97.4 -3.46 40.16 Favored 'General case' 0 C--O 1.222 -0.386 0 CA-C-O 120.823 0.344 . . . . 25.0 111.573 -176.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -81.22 73.98 5.69 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 122.36 2.04 . . . . 25.0 112.724 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 125.248 2.451 . . . . 25.0 110.266 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 CA-C-O 123.091 1.384 . . . . 25.0 116.196 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.4 tp -54.51 -34.82 29.78 Favored 'Isoleucine or valine' 0 C--N 1.351 0.641 0 O-C-N 121.479 -1.012 . . . . 25.0 112.624 -178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 71.2 t -65.32 -46.66 89.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 121.137 -0.977 . . . . 25.0 110.444 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -70.2 -27.76 64.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.077 0.465 . . . . 25.0 111.12 -176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -90.44 -30.45 17.34 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 114.056 1.132 . . . . 25.0 114.056 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.7 m -109.78 -37.34 5.68 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 115.564 1.69 . . . . 25.0 115.564 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 74.2 m -79.78 -54.99 5.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 106.365 -1.717 . . . . 25.0 106.365 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.4 m -70.58 -44.56 67.11 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.598 -0.728 . . . . 25.0 112.529 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.5 m -114.69 -176.98 3.02 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.033 0.444 . . . . 25.0 112.027 -174.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.0 mm -91.54 132.4 36.11 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.404 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -129.51 150.99 50.61 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 108.331 -0.988 . . . . 25.0 108.331 174.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.1 t -110.1 161.78 15.21 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 -178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.448 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.5 pt? -55.01 -34.04 63.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.44 0.638 . . . . 25.0 111.161 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -57.17 -40.64 77.7 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.813 -0.631 . . . . 25.0 111.575 177.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -78.71 -37.06 42.47 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 119.171 -0.442 . . . . 25.0 110.829 176.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.77 -37.47 63.48 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.557 0.617 . . . . 25.0 109.838 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -57.89 -33.35 68.63 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.276 0.843 . . . . 25.0 113.276 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -67.66 -20.8 65.35 Favored 'General case' 0 C--N 1.331 -0.228 0 O-C-N 121.854 -0.529 . . . . 25.0 111.214 -178.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -89.28 -9.01 52.22 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-O 120.868 0.366 . . . . 25.0 110.872 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.8 t -84.72 -50.42 7.63 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.061 -1.459 . . . . 25.0 107.061 177.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 62.3 t30 . . . . . 0 C--O 1.208 -1.117 0 CA-C-N 114.378 -1.283 . . . . 25.0 113.842 177.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.0 t80 . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 123.642 1.687 . . . . 25.0 115.03 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.72 133.55 50.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 108.178 -1.045 . . . . 25.0 108.178 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -73.29 125.29 27.46 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.021 -1.103 . . . . 25.0 108.021 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -164.21 176.81 8.86 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.13 -1.063 . . . . 25.0 108.13 -171.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -74.48 132.0 41.52 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.579 -0.897 . . . . 25.0 108.579 173.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -139.12 138.47 37.05 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.732 -0.84 . . . . 25.0 108.732 -178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -150.67 168.62 23.78 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 178.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 55.49 -141.9 37.77 Favored Glycine 0 C--N 1.332 0.312 0 CA-C-O 122.406 1.004 . . . . 25.0 115.283 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -28.2 69.05 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 114.754 -0.723 . . . . 25.0 111.448 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -68.35 -36.91 79.94 Favored 'General case' 0 C--O 1.216 -0.681 0 O-C-N 121.612 -0.68 . . . . 25.0 109.86 176.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.27 -44.28 92.23 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.147 -0.316 . . . . 25.0 110.147 174.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -61.6 -43.23 96.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 109.475 -0.565 . . . . 25.0 109.475 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -58.55 -44.73 89.77 Favored 'General case' 0 C--O 1.207 -1.15 0 O-C-N 122.131 -0.356 . . . . 25.0 110.733 176.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.37 -46.48 89.79 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.582 -0.447 . . . . 25.0 110.269 -179.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -36.22 82.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.233 -0.44 . . . . 25.0 111.262 179.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -67.38 -40.99 85.72 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.165 -0.334 . . . . 25.0 110.902 175.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.0 mt -66.58 -41.73 88.07 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 121.651 -0.656 . . . . 25.0 110.899 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -79.82 -33.79 15.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 N-CA-C 113.349 0.87 . . . . 25.0 113.349 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.9 t -126.98 -32.64 2.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 116.016 1.858 . . . . 25.0 116.016 -175.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.62 -36.58 93.53 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.237 -0.982 . . . . 25.0 112.825 -177.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.38 -25.37 62.34 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-O 120.711 0.291 . . . . 25.0 111.64 175.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -73.84 -33.77 64.27 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 122.081 -0.387 . . . . 25.0 111.101 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.64 139.49 5.66 Favored Glycine 0 C--O 1.212 -1.243 0 N-CA-C 109.691 -1.364 . . . . 25.0 109.691 -177.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 100.74 26.35 8.08 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 115.986 1.154 . . . . 25.0 115.986 177.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -77.84 150.59 34.18 Favored 'General case' 0 C--O 1.215 -0.714 0 O-C-N 121.725 -0.868 . . . . 25.0 110.691 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 p90 -99.08 -4.27 32.74 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -80.83 74.88 5.33 Favored 'Trans proline' 0 C--N 1.396 3.039 0 C-N-CA 121.958 1.772 . . . . 25.0 113.413 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.21 -1.022 0 CA-C-O 124.501 2.096 . . . . 25.0 112.677 -173.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.128 0 N-CA-C 116.101 1.201 . . . . 25.0 116.101 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.481 HD11 HD22 ' B' ' 11' ' ' LEU . 17.7 tt -56.24 -32.93 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 O-C-N 120.681 -1.482 . . . . 25.0 112.04 -178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 96.7 t -67.26 -45.05 87.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 121.406 -0.809 . . . . 25.0 109.015 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -72.26 -21.4 61.38 Favored 'General case' 0 C--O 1.216 -0.699 0 CA-C-O 121.61 0.719 . . . . 25.0 112.523 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -90.68 -36.07 14.57 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 113.065 0.765 . . . . 25.0 113.065 179.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 85.7 m -109.32 -41.07 4.74 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 114.407 1.262 . . . . 25.0 114.407 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -72.0 -51.67 20.75 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.298 -1.371 . . . . 25.0 107.298 179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.5 m -75.37 -43.53 49.85 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 113.096 0.776 . . . . 25.0 113.096 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 m -117.5 -176.05 2.94 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.434 0.901 . . . . 25.0 113.434 -174.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.2 mm -91.28 131.36 38.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.99 156.9 48.24 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 108.832 -0.803 . . . . 25.0 108.832 176.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.5 m -116.35 173.21 6.72 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.985 -0.746 . . . . 25.0 108.985 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.478 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.4 pt? -56.83 -30.73 64.04 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 115.813 -0.63 . . . . 25.0 111.428 178.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -61.01 -47.58 85.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.872 178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.38 -39.81 81.62 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.926 -0.768 . . . . 25.0 108.926 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.12 -36.78 73.43 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.863 -0.523 . . . . 25.0 112.229 -177.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.69 -30.21 68.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 118.882 -0.58 . . . . 25.0 111.836 178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -68.47 -20.68 64.62 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.649 0.738 . . . . 25.0 110.994 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -90.61 6.04 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.287 -0.869 . . . . 25.0 110.779 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.2 t -121.35 -42.85 2.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.964 0.888 . . . . 25.0 110.626 178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 . . . . . 0 N--CA 1.49 1.568 0 C-N-CA 125.963 1.705 . . . . 25.0 111.294 -177.605 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.9 t80 . . . . . 0 N--CA 1.485 1.302 0 CA-C-O 123.278 1.513 . . . . 25.0 114.555 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 8.9 p -123.73 141.81 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 107.435 -1.32 . . . . 25.0 107.435 174.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -74.7 129.21 37.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.255 0.55 . . . . 25.0 109.704 179.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -164.96 177.04 8.11 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 -172.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -74.34 133.36 42.53 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 172.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 32.1 mt -134.64 136.15 42.65 Favored 'General case' 0 C--O 1.214 -0.81 0 N-CA-C 108.422 -0.955 . . . . 25.0 108.422 -178.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.6 t -150.33 163.82 37.36 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.54 -139.03 12.55 Favored Glycine 0 N--CA 1.463 0.5 0 N-CA-C 115.952 1.141 . . . . 25.0 115.952 179.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.79 -27.9 68.36 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 121.974 -0.721 . . . . 25.0 111.316 -179.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -67.48 -37.86 83.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.367 -0.833 . . . . 25.0 110.754 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.481 HD22 HD11 ' A' ' 2' ' ' ILE . 0.4 OUTLIER -63.71 -44.81 92.51 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 174.387 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -61.66 -43.75 97.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 110.056 -0.35 . . . . 25.0 110.056 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -58.89 -45.05 91.17 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 121.785 -0.572 . . . . 25.0 111.026 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -41.61 98.72 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.744 -0.383 . . . . 25.0 110.397 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -63.88 -36.59 84.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.222 0.534 . . . . 25.0 112.222 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -68.17 -41.72 81.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.455 -0.338 . . . . 25.0 110.22 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 37.0 mt -67.21 -41.31 86.0 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 121.831 -0.543 . . . . 25.0 110.487 -177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.7 p -80.05 -33.46 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.761 -0.776 . . . . 25.0 112.893 -178.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.6 t -124.69 -33.46 2.97 Favored 'General case' 0 C--O 1.209 -1.062 0 N-CA-C 116.715 2.116 . . . . 25.0 116.715 -173.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.447 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -61.79 -38.78 96.52 Favored Glycine 0 N--CA 1.466 0.661 0 C-N-CA 120.427 -0.892 . . . . 25.0 111.831 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.69 -9.87 58.92 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 178.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 mtp180 -77.19 -26.22 52.63 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.683 -0.636 . . . . 25.0 111.493 175.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 113.21 81.91 1.1 Allowed Glycine 0 CA--C 1.528 0.853 0 CA-C-N 115.627 -0.715 . . . . 25.0 113.282 -178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.61 -117.43 0.71 Allowed Glycine 0 C--O 1.221 -0.694 0 N-CA-C 109.793 -1.323 . . . . 25.0 109.793 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.447 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 2.3 t80 67.42 178.69 0.23 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.814 1.246 . . . . 25.0 113.56 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -128.07 -26.24 2.9 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 115.961 -0.563 . . . . 25.0 112.271 -174.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -80.7 76.21 4.64 Favored 'Trans proline' 0 C--N 1.401 3.3 0 C-N-CA 122.74 2.293 . . . . 25.0 112.74 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.475 0.806 0 CA-C-O 125.786 2.708 . . . . 25.0 111.249 -173.097 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.482 0 CA-C-O 123.064 1.369 . . . . 25.0 115.4 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -56.61 -32.93 38.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 O-C-N 120.96 -1.318 . . . . 25.0 112.892 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.94 -46.4 88.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.466 -0.568 . . . . 25.0 109.466 179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -68.98 -26.24 64.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 121.937 -0.477 . . . . 25.0 111.572 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -79.57 -42.42 25.09 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.548 0.573 . . . . 25.0 112.548 -179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.3 m -112.53 -35.72 5.45 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 116.323 1.971 . . . . 25.0 116.323 -172.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.36 -48.0 16.48 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 106.471 -1.677 . . . . 25.0 106.471 -179.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.2 m -72.17 -44.76 62.55 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.472 0.916 . . . . 25.0 113.472 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.3 p -125.37 -176.88 3.71 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.553 -0.717 . . . . 25.0 112.58 -176.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.9 mm -83.26 134.11 27.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.3 p -131.93 154.98 48.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.8 t -118.81 164.27 15.65 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.828 -0.624 . . . . 25.0 109.425 -176.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.24 -33.96 55.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 25.0 112.415 178.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -59.17 -39.26 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.423 -0.808 . . . . 25.0 111.394 179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -81.86 -38.87 24.74 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.734 -0.469 . . . . 25.0 109.734 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -54.29 -37.78 65.16 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.774 -0.648 . . . . 25.0 111.881 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.87 -34.13 67.55 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.14 0.793 . . . . 25.0 113.14 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -71.6 -16.08 62.28 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 121.852 -0.53 . . . . 25.0 111.689 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -91.85 -1.05 57.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.988 -0.375 . . . . 25.0 109.988 177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 45.1 t -99.58 -41.06 7.51 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.199 0.999 . . . . 25.0 110.004 178.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.2 t30 . . . . . 0 C--O 1.211 -0.952 0 CA-C-O 125.045 2.355 . . . . 25.0 111.76 -178.736 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 123.391 1.567 . . . . 25.0 114.229 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.9 t -98.19 131.71 44.69 Favored 'Isoleucine or valine' 0 C--O 1.242 0.686 0 O-C-N 120.799 -1.188 . . . . 25.0 108.441 173.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -71.77 121.12 18.38 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.955 -1.128 . . . . 25.0 107.955 176.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -161.16 177.53 10.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 107.53 -1.285 . . . . 25.0 107.53 -171.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -73.08 132.29 43.15 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.757 -1.201 . . . . 25.0 107.757 173.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 20.8 mt -137.44 138.88 40.25 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.198 -1.038 . . . . 25.0 108.198 -177.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -152.26 167.22 29.32 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 109.916 -0.401 . . . . 25.0 109.916 179.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.44 -140.84 28.07 Favored Glycine 0 C--N 1.333 0.37 0 N-CA-C 115.743 1.057 . . . . 25.0 115.743 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 23.5 p -61.38 -29.01 69.65 Favored 'General case' 0 C--O 1.226 -0.172 0 O-C-N 122.711 -0.288 . . . . 25.0 111.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -65.22 -38.81 91.59 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.473 -0.767 . . . . 25.0 110.78 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -45.48 89.21 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.871 -0.418 . . . . 25.0 109.871 173.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -60.05 -42.88 91.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 N-CA-C 109.69 -0.485 . . . . 25.0 109.69 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -61.77 -42.77 99.41 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 122.521 -0.112 . . . . 25.0 110.74 178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.4 -44.76 95.68 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.282 -0.567 . . . . 25.0 110.956 178.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -38.57 90.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.521 0.677 . . . . 25.0 109.658 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -67.48 -41.77 84.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.218 -0.446 . . . . 25.0 112.17 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.07 -38.54 82.51 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 121.545 -0.722 . . . . 25.0 110.796 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.53 -38.56 22.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 C-N-CA 120.096 -0.642 . . . . 25.0 112.29 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.8 t -125.88 -30.22 3.02 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 116.532 2.049 . . . . 25.0 116.532 -173.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.72 -28.01 73.56 Favored Glycine 0 C--O 1.218 -0.858 0 C-N-CA 120.031 -1.081 . . . . 25.0 111.732 -179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -84.4 8.79 15.09 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 122.189 -0.594 . . . . 25.0 112.195 174.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.03 -37.34 1.71 Allowed 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.679 0.992 . . . . 25.0 113.679 -174.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.79 -138.04 5.33 Favored Glycine 0 N--CA 1.443 -0.865 0 N-CA-C 110.534 -1.027 . . . . 25.0 110.534 -178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.57 -34.86 4.85 Favored Glycine 0 C--N 1.32 -0.35 0 N-CA-C 116.048 1.179 . . . . 25.0 116.048 -176.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 3.1 t80 62.93 179.07 0.15 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.369 0.668 . . . . 25.0 112.283 -179.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.2 p90 -130.78 -2.68 4.15 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.46 0.541 . . . . 25.0 112.46 -174.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -78.61 74.93 5.22 Favored 'Trans proline' 0 C--N 1.393 2.881 0 C-N-CA 122.254 1.969 . . . . 25.0 113.453 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 125.412 2.53 . . . . 25.0 110.875 -174.765 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.826 0 CA-C-O 123.157 1.421 . . . . 25.0 113.864 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 7.7 tp -54.08 -33.91 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.748 0.819 . . . . 25.0 112.348 -176.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.82 -49.66 61.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 O-C-N 121.219 -0.926 . . . . 25.0 111.934 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -73.68 -16.78 61.19 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 121.267 -0.895 . . . . 25.0 111.43 -178.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -83.86 -49.64 8.85 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 121.881 -0.512 . . . . 25.0 111.747 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.0 m -106.02 -21.9 13.02 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 115.281 1.586 . . . . 25.0 115.281 -169.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.9 t -86.81 -50.22 6.88 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 106.77 -1.567 . . . . 25.0 106.77 177.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 34.0 m -72.25 -45.89 58.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.854 -0.612 . . . . 25.0 112.631 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -114.36 -171.61 1.95 Allowed 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.5 -0.556 . . . . 25.0 109.5 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.5 mm -95.92 133.51 36.83 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 C-N-CA 123.455 0.702 . . . . 25.0 110.591 -176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 75.6 m -121.28 146.82 46.43 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.998 0.428 . . . . 25.0 110.401 173.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.9 m -106.29 168.4 9.17 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 172.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.447 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -55.88 -30.77 62.07 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.66 0.743 . . . . 25.0 111.901 177.246 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.42 -47.0 87.14 Favored 'General case' 0 C--O 1.221 -0.433 0 CA-C-N 115.543 -0.753 . . . . 25.0 111.308 178.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -72.34 -38.66 68.55 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.417 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.9 mm? -56.27 -35.86 67.93 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.836 0.289 . . . . 25.0 111.741 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -61.73 -28.3 69.33 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.084 0.772 . . . . 25.0 113.084 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -67.72 -13.16 61.87 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.317 -0.864 . . . . 25.0 110.559 179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -100.46 8.61 43.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.303 -0.248 . . . . 25.0 110.813 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 90.7 m -60.16 -38.43 83.14 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 108.937 -0.764 . . . . 25.0 108.937 173.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.9 t30 . . . . . 0 C--O 1.203 -1.362 0 CA-C-O 122.978 1.371 . . . . 25.0 112.285 -179.298 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 123.941 1.829 . . . . 25.0 115.134 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 63.4 t -105.0 135.09 44.49 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -72.59 131.02 41.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.796 -1.187 . . . . 25.0 107.796 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -166.83 -179.6 4.83 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.439 -0.948 . . . . 25.0 108.439 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.3 131.95 39.53 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 105.798 -1.927 . . . . 25.0 105.798 172.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 30.8 mt -132.49 137.49 47.22 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.295 -1.372 . . . . 25.0 107.295 -179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.25 159.9 43.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.254 -0.43 . . . . 25.0 109.915 -175.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.09 -134.42 17.69 Favored Glycine 0 N--CA 1.466 0.691 0 N-CA-C 116.255 1.262 . . . . 25.0 116.255 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.57 -30.67 69.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.039 -0.58 . . . . 25.0 111.806 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -68.17 -34.51 76.44 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 121.089 -1.007 . . . . 25.0 110.967 176.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.71 -43.15 90.01 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.004 -0.739 . . . . 25.0 109.004 175.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -63.41 -41.91 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.441 0 CA-C-N 116.2 -0.455 . . . . 25.0 110.263 178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -59.81 -44.28 94.06 Favored 'General case' 0 C--O 1.206 -1.201 0 O-C-N 122.238 -0.289 . . . . 25.0 111.125 176.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.42 -45.15 95.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.066 -0.396 . . . . 25.0 110.743 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.66 -34.14 77.58 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 120.597 0.237 . . . . 25.0 111.293 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -68.37 -44.37 75.33 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.653 -0.419 . . . . 25.0 110.766 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.62 -40.04 92.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.634 0.731 . . . . 25.0 110.209 -175.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 16' ' ' LEU . 7.8 p -82.56 -32.81 10.51 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.571 0 N-CA-C 114.501 1.297 . . . . 25.0 114.501 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -123.73 -34.18 3.07 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 116.184 1.92 . . . . 25.0 116.184 -174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.67 -28.65 73.57 Favored Glycine 0 C--O 1.226 -0.397 0 C-N-CA 120.218 -0.991 . . . . 25.0 111.449 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -88.41 7.48 32.46 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 122.58 -0.365 . . . . 25.0 111.837 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -114.67 -39.58 3.73 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 122.047 -0.408 . . . . 25.0 111.529 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 145.57 126.01 1.79 Allowed Glycine 0 C--O 1.216 -1.011 0 O-C-N 123.978 0.799 . . . . 25.0 113.589 175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.06 102.0 0.83 Allowed Glycine 0 C--O 1.23 -0.125 0 N-CA-C 112.329 -0.308 . . . . 25.0 112.329 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -140.43 147.86 40.33 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 176.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -105.96 -1.92 23.47 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 112.863 0.69 . . . . 25.0 112.863 -170.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -77.43 83.8 2.09 Favored 'Trans proline' 0 C--N 1.401 3.299 0 C-N-CA 122.022 1.815 . . . . 25.0 112.902 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 125.256 2.455 . . . . 25.0 110.965 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.973 0 CA-C-O 123.189 1.438 . . . . 25.0 115.32 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.1 tp -57.85 -34.53 48.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.887 0 O-C-N 120.504 -1.586 . . . . 25.0 111.126 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.1 t -67.28 -43.17 88.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 O-C-N 122.196 -0.315 . . . . 25.0 111.17 179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -70.05 -28.14 65.21 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.211 -0.931 . . . . 25.0 111.469 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -86.35 -33.69 20.48 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 113.102 0.778 . . . . 25.0 113.102 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 60.8 m -106.43 -35.52 7.08 Favored 'General case' 0 N--CA 1.467 0.388 0 N-CA-C 115.5 1.667 . . . . 25.0 115.5 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 59.5 m -80.95 -53.23 6.63 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.447 -0.946 . . . . 25.0 108.447 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 59.9 m -71.49 -46.44 59.81 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -177.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.7 p -114.2 -177.2 3.07 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 122.148 -0.345 . . . . 25.0 110.546 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.2 mm -91.44 133.71 32.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 107.206 -1.405 . . . . 25.0 107.206 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.9 p -128.08 155.63 44.08 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.743 -0.836 . . . . 25.0 108.743 175.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.7 m -122.14 164.97 16.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.248 -0.887 . . . . 25.0 109.357 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -54.44 -34.81 62.12 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.462 0.648 . . . . 25.0 112.303 -178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -58.38 -38.53 77.49 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.372 0.669 . . . . 25.0 111.491 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -80.97 -38.86 26.94 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.399 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.436 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.6 mm? -52.01 -39.36 59.37 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 122.824 0.45 . . . . 25.0 111.921 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -57.9 -30.76 66.14 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 114.449 1.278 . . . . 25.0 114.449 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -68.28 -19.75 64.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.617 0.723 . . . . 25.0 111.275 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -89.91 6.0 43.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.021 0.439 . . . . 25.0 110.236 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -122.61 -46.2 2.15 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -176.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.4 t30 . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 122.785 1.278 . . . . 25.0 112.534 -174.048 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.4 t80 . . . . . 0 N--CA 1.494 1.728 0 CA-C-O 123.301 1.524 . . . . 25.0 114.379 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.4 t -107.49 131.97 56.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 120.679 -1.263 . . . . 25.0 109.167 177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.3 p-10 -74.89 124.07 26.21 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 107.71 -1.219 . . . . 25.0 107.71 175.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -162.05 178.22 9.02 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 107.526 -1.287 . . . . 25.0 107.526 -173.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -74.52 116.95 15.78 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.493 -1.299 . . . . 25.0 107.493 173.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.5 mt -119.97 136.33 54.58 Favored 'General case' 0 CA--C 1.506 -0.73 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.45 164.61 36.37 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.987 -0.551 . . . . 25.0 110.541 -178.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.14 -136.09 30.67 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 115.604 1.002 . . . . 25.0 115.604 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 10.5 p -62.65 -29.35 70.56 Favored 'General case' 0 C--N 1.323 -0.576 0 O-C-N 122.506 -0.409 . . . . 25.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.4 t-160 -66.94 -37.16 83.79 Favored 'General case' 0 N--CA 1.448 -0.57 0 O-C-N 121.64 -0.663 . . . . 25.0 110.774 176.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.17 -45.29 85.51 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 174.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.5 t -60.79 -42.78 93.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.915 -0.402 . . . . 25.0 109.915 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -61.13 -42.23 98.16 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 112.249 0.463 . . . . 25.0 112.249 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.38 -44.81 95.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.901 -0.499 . . . . 25.0 109.953 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.47 -36.06 82.49 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 123.509 0.506 . . . . 25.0 110.316 179.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -67.95 -42.53 80.79 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.344 0.498 . . . . 25.0 112.344 176.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -67.86 -41.57 82.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.618 0.723 . . . . 25.0 110.732 -176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.436 HG11 ' HB3' ' A' ' 16' ' ' LEU . 11.8 p -79.17 -35.2 17.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 25.0 112.457 -177.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -134.68 -22.97 1.63 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 117.701 2.482 . . . . 25.0 117.701 -173.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.74 -39.48 96.68 Favored Glycine 0 N--CA 1.449 -0.47 0 N-CA-C 109.935 -1.266 . . . . 25.0 109.935 -178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -73.91 5.92 3.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.9 -43.78 2.86 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 122.164 -0.335 . . . . 25.0 111.157 -178.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -113.97 -0.54 24.13 Favored Glycine 0 C--O 1.223 -0.592 0 N-CA-C 116.095 1.198 . . . . 25.0 116.095 -175.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.73 -25.13 29.47 Favored Glycine 0 N--CA 1.463 0.48 0 CA-C-N 118.289 1.045 . . . . 25.0 114.115 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.8 t80 70.09 171.46 0.31 Allowed 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -119.38 -6.31 10.31 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -175.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -77.04 83.48 2.12 Favored 'Trans proline' 0 C--N 1.397 3.112 0 C-N-CA 122.445 2.097 . . . . 25.0 112.838 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.21 -1.0 0 CA-C-O 124.882 2.277 . . . . 25.0 110.524 179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.188 0 CA-C-O 123.05 1.361 . . . . 25.0 115.339 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 tp -59.68 -27.05 36.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 O-C-N 121.559 -0.965 . . . . 25.0 111.515 -178.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 1.5 p -63.35 -45.83 97.11 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 122.039 -0.413 . . . . 25.0 110.32 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -71.04 -28.83 64.67 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.383 -0.823 . . . . 25.0 111.075 179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -76.04 -37.98 57.7 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.2 m -118.78 -34.94 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 115.618 1.71 . . . . 25.0 115.618 -175.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.3 t -80.61 -20.81 42.37 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 108.512 -0.922 . . . . 25.0 108.512 -177.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.4 m -108.71 -50.19 3.05 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 115.55 -0.75 . . . . 25.0 111.934 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -112.97 -175.02 2.57 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.129 -0.357 . . . . 25.0 110.243 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 24.5 mm -92.72 133.3 34.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -127.91 152.55 47.72 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.222 0.534 . . . . 25.0 109.921 177.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 49.2 m -118.76 162.17 18.89 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.121 -0.945 . . . . 25.0 109.01 -178.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.8 pt? -52.6 -33.11 44.81 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.514 0.931 . . . . 25.0 113.514 -178.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 44.0 t80 -57.83 -46.2 85.08 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.474 -0.784 . . . . 25.0 111.166 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -73.78 -39.79 63.91 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.72 -0.392 . . . . 25.0 110.06 177.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -52.94 -36.66 60.09 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 111.959 0.355 . . . . 25.0 111.959 -179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -58.46 -31.24 67.62 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.731 1.011 . . . . 25.0 113.731 177.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -69.12 -16.07 63.57 Favored 'General case' 0 C--O 1.217 -0.64 0 O-C-N 121.899 -0.5 . . . . 25.0 110.793 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -97.49 5.78 49.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 25.0 110.252 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.9 t -106.49 -51.18 2.99 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 174.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 t30 . . . . . 0 C--O 1.209 -1.076 0 C-N-CA 125.823 1.649 . . . . 25.0 114.456 174.314 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 10.2 t80 . . . . . 0 N--CA 1.49 1.573 0 CA-C-O 123.002 1.382 . . . . 25.0 114.575 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 64.7 t -114.76 132.07 65.05 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 121.248 -0.908 . . . . 25.0 109.205 176.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -74.09 125.32 28.06 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.646 -0.872 . . . . 25.0 108.646 176.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -166.55 176.54 7.24 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -74.13 131.28 41.15 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.787 -1.19 . . . . 25.0 107.787 173.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.4 mt -135.47 141.73 45.41 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.92 168.57 25.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.6 -142.61 19.76 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 115.283 0.873 . . . . 25.0 115.283 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -58.69 -29.27 66.5 Favored 'General case' 0 C--O 1.214 -0.8 0 CA-C-N 115.349 -0.425 . . . . 25.0 111.498 178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -67.3 -36.49 81.63 Favored 'General case' 0 C--N 1.332 -0.161 0 O-C-N 121.961 -0.462 . . . . 25.0 110.542 177.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.45 -43.91 84.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.32 -0.622 . . . . 25.0 109.32 174.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.37 -41.91 89.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 N-CA-C 109.876 -0.416 . . . . 25.0 109.876 179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -60.58 -45.39 94.14 Favored 'General case' 0 C--O 1.211 -0.957 0 C-N-CA 122.347 0.259 . . . . 25.0 111.232 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.4 -46.63 89.3 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.441 -0.504 . . . . 25.0 111.088 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.72 -36.14 82.02 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.088 0.471 . . . . 25.0 109.864 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -69.82 -41.77 74.54 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.667 -0.646 . . . . 25.0 111.411 176.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.5 mt -66.36 -37.51 85.48 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 121.687 -0.633 . . . . 25.0 111.287 -177.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -80.15 -37.84 17.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 C-N-CA 120.106 -0.638 . . . . 25.0 112.29 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 9.0 t -124.86 -40.55 2.18 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 116.847 2.166 . . . . 25.0 116.847 -174.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -59.24 -32.51 72.09 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 120.015 -1.088 . . . . 25.0 113.552 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -66.53 -3.23 5.84 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.344 1.239 . . . . 25.0 114.344 176.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.3 3.96 53.95 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.087 0.403 . . . . 25.0 110.191 179.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.46 36.87 5.75 Favored Glycine 0 N--CA 1.459 0.231 0 C-N-CA 120.62 -0.8 . . . . 25.0 114.617 177.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -134.21 -123.64 2.39 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.374 -0.69 . . . . 25.0 111.374 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 76.89 164.71 0.24 Allowed 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 125.056 1.342 . . . . 25.0 114.483 175.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -122.62 -3.86 8.76 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.661 -0.699 . . . . 25.0 112.245 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_endo -79.07 76.84 4.34 Favored 'Trans proline' 0 C--N 1.398 3.151 0 C-N-CA 122.492 2.128 . . . . 25.0 113.223 176.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.494 1.743 0 C-N-CA 125.742 1.617 . . . . 25.0 112.695 -179.704 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.122 0 CA-C-O 123.381 1.545 . . . . 25.0 115.142 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.6 tp -54.89 -39.79 50.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 O-C-N 121.266 -1.138 . . . . 25.0 112.001 -178.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -69.65 -30.63 45.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 121.393 -0.817 . . . . 25.0 111.336 -179.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -78.77 -17.77 55.25 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 121.5 -0.75 . . . . 25.0 111.359 -178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 69.1 mm-40 -96.81 -34.15 11.4 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.271 0.471 . . . . 25.0 112.271 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -101.71 -33.55 9.82 Favored 'General case' 0 C--O 1.213 -0.852 0 N-CA-C 115.329 1.603 . . . . 25.0 115.329 -177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.8 t -88.87 -49.69 6.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.45 -0.944 . . . . 25.0 108.45 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.2 m -68.16 -45.78 72.57 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -118.36 -174.07 2.59 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 25.5 mm -96.09 137.44 24.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 108.358 -0.979 . . . . 25.0 108.358 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -134.47 156.94 47.71 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 108.751 -0.833 . . . . 25.0 108.751 175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.4 t -124.3 175.7 6.91 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -178.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -29.69 64.16 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.591 0.589 . . . . 25.0 112.591 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -63.99 -44.73 91.81 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.778 0.799 . . . . 25.0 110.394 -178.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -71.0 -41.51 70.84 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 178.124 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.1 -40.89 70.95 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 120.607 0.242 . . . . 25.0 111.632 -177.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -60.25 -29.52 68.83 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.945 0.72 . . . . 25.0 112.945 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -71.49 -17.26 62.36 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 121.928 -0.482 . . . . 25.0 110.808 -178.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -84.29 -9.33 58.57 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.1 m -89.16 -28.56 19.94 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 121.266 0.555 . . . . 25.0 110.43 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 124.519 2.104 . . . . 25.0 114.816 -178.5 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 123.836 1.779 . . . . 25.0 114.867 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.4 t -108.75 127.23 65.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 O-C-N 120.464 -1.397 . . . . 25.0 109.357 177.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -75.05 127.72 33.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -164.04 179.75 6.75 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 106.22 -1.77 . . . . 25.0 106.22 -172.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -76.9 108.26 9.82 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.117 -1.438 . . . . 25.0 107.117 173.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 40.9 mt -106.04 131.44 53.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 -178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.1 161.95 36.84 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.718 -0.673 . . . . 25.0 109.925 -176.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.22 -137.14 15.19 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 116.338 1.295 . . . . 25.0 116.338 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -61.34 -28.84 69.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.319 -0.44 . . . . 25.0 111.828 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -66.44 -37.59 85.52 Favored 'General case' 0 C--N 1.328 -0.368 0 O-C-N 121.684 -0.635 . . . . 25.0 110.225 176.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.68 -44.76 85.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.778 -0.452 . . . . 25.0 109.778 175.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.41 -40.86 89.57 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 120.709 -0.396 . . . . 25.0 110.06 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -59.65 -44.76 93.42 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 122.152 -0.343 . . . . 25.0 110.796 176.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.53 -43.77 98.25 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.267 -0.573 . . . . 25.0 110.447 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.52 84.45 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 120.797 0.332 . . . . 25.0 110.428 179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -66.16 -44.06 85.15 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 122.008 -0.433 . . . . 25.0 111.181 175.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.78 -41.48 87.59 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 121.668 -0.645 . . . . 25.0 110.456 -176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.7 p -79.37 -33.43 15.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 113.444 0.905 . . . . 25.0 113.444 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.7 m -125.4 -26.92 3.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 117.742 2.497 . . . . 25.0 117.742 -174.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.4 -32.15 60.24 Favored Glycine 0 C--O 1.215 -1.074 0 N-CA-C 110.243 -1.143 . . . . 25.0 110.243 178.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -80.89 -17.09 51.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.777 0.799 . . . . 25.0 109.753 177.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 54.6 ttp85 -83.7 -45.03 13.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.18 -0.918 . . . . 25.0 111.13 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 126.64 26.68 1.13 Allowed Glycine 0 CA--C 1.522 0.475 0 CA-C-N 114.868 -1.06 . . . . 25.0 114.208 177.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -146.08 81.92 0.2 Allowed Glycine 0 C--O 1.222 -0.641 0 N-CA-C 110.4 -1.08 . . . . 25.0 110.4 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -149.04 156.46 42.27 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 -176.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 41.4 p90 -113.42 0.52 14.77 Favored 'General case' 0 C--O 1.22 -0.452 0 C-N-CA 122.921 0.488 . . . . 25.0 112.128 -172.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -79.83 76.66 4.42 Favored 'Trans proline' 0 C--N 1.397 3.085 0 C-N-CA 121.92 1.747 . . . . 25.0 112.622 177.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 124.98 2.324 . . . . 25.0 111.089 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.059 0 CA-C-O 122.448 1.026 . . . . 25.0 114.53 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 20.3 tt -56.11 -29.81 27.97 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 O-C-N 121.283 -1.127 . . . . 25.0 112.357 -178.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -61.1 -42.87 94.86 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 O-C-N 121.438 -0.788 . . . . 25.0 111.396 179.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -79.75 -17.38 53.63 Favored 'General case' 0 C--O 1.219 -0.536 0 O-C-N 121.221 -0.924 . . . . 25.0 111.924 -178.533 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.03 -38.97 16.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.638 0.607 . . . . 25.0 112.638 177.292 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.2 m -106.99 -37.6 6.28 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 114.866 1.432 . . . . 25.0 114.866 -176.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.0 t -75.87 -54.29 7.13 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 118.875 -1.13 . . . . 25.0 108.172 179.088 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.5 m -70.45 -43.19 70.38 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.323 0.86 . . . . 25.0 113.323 -178.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -117.43 -174.87 2.7 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.65 -0.656 . . . . 25.0 111.928 -176.37 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.6 mm -93.45 132.43 37.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 106.92 -1.511 . . . . 25.0 106.92 177.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 18.9 p -134.7 161.86 33.95 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.627 -1.249 . . . . 25.0 107.627 176.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.7 m -125.78 174.9 8.0 Favored 'General case' 0 C--O 1.249 1.029 0 CA-C-O 121.191 0.519 . . . . 25.0 110.558 -177.52 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.37 -29.94 66.39 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 121.173 0.511 . . . . 25.0 111.823 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.358 0.599 . . . . 25.0 111.133 178.159 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -70.99 -41.28 71.17 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.533 -0.914 . . . . 25.0 108.533 177.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -58.67 -33.05 69.7 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 113.639 0.977 . . . . 25.0 113.639 -177.914 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -57.94 -33.53 68.91 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 118.709 0.686 . . . . 25.0 112.529 175.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -70.19 -20.9 63.09 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.721 -0.612 . . . . 25.0 110.358 -178.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -87.64 -7.12 57.86 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.944 0.402 . . . . 25.0 111.001 178.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.1 t -92.09 -44.89 8.58 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.252 1.025 . . . . 25.0 108.524 177.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 123.864 1.792 . . . . 25.0 113.567 177.213 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 N--CA 1.495 1.824 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 10.1 p -133.98 140.41 46.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 N-CA-C 108.043 -1.095 . . . . 25.0 108.043 174.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -78.52 119.59 22.03 Favored 'General case' 0 C--O 1.214 -0.765 0 N-CA-C 107.768 -1.197 . . . . 25.0 107.768 179.541 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 -162.38 177.5 9.5 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 105.74 -1.948 . . . . 25.0 105.74 -175.275 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -70.27 129.07 38.35 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.876 -1.157 . . . . 25.0 107.876 175.051 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 33.6 mt -133.35 133.15 42.12 Favored 'General case' 0 C--O 1.217 -0.61 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 -175.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -149.12 164.17 35.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -176.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.54 -136.88 31.41 Favored Glycine 0 CA--C 1.52 0.363 0 N-CA-C 115.441 0.937 . . . . 25.0 115.441 175.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 12.8 p -60.9 -30.29 70.09 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.339 -0.506 . . . . 25.0 112.168 178.048 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -38.22 86.91 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 121.728 -0.608 . . . . 25.0 110.044 177.31 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -45.66 87.01 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 116.552 -0.294 . . . . 25.0 110.49 174.452 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -60.51 -44.21 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 N-CA-C 109.949 -0.389 . . . . 25.0 109.949 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -59.13 -45.53 90.68 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 121.331 -0.855 . . . . 25.0 112.001 177.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.16 -45.21 95.56 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.399 -179.877 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.58 -37.02 85.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.035 0.445 . . . . 25.0 110.582 179.715 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -67.52 -39.27 85.09 Favored 'General case' 0 C--O 1.216 -0.661 0 O-C-N 122.059 -0.401 . . . . 25.0 110.753 177.375 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.5 mt -68.01 -41.45 82.18 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.163 -0.961 . . . . 25.0 110.157 -177.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 10.9 p -76.95 -36.7 25.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 113.278 0.844 . . . . 25.0 113.278 -179.315 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.94 -34.96 2.73 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 116.58 2.067 . . . . 25.0 116.58 -174.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.8 -34.0 88.51 Favored Glycine 0 C--O 1.219 -0.808 0 C-N-CA 119.653 -1.261 . . . . 25.0 111.791 -179.198 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.07 -13.47 60.85 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 112.897 0.702 . . . . 25.0 112.897 175.773 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -87.15 -39.57 15.4 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 109.023 -0.732 . . . . 25.0 109.023 177.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 127.36 135.15 4.07 Favored Glycine 0 C--O 1.221 -0.718 0 N-CA-C 109.135 -1.586 . . . . 25.0 109.135 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 99.89 81.22 1.58 Allowed Glycine 0 C--O 1.221 -0.68 0 N-CA-C 110.905 -0.878 . . . . 25.0 110.905 -178.199 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -138.03 150.24 46.76 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 121.819 -0.812 . . . . 25.0 109.476 -179.162 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -97.09 -8.5 30.09 Favored 'General case' 0 C--O 1.22 -0.448 0 N-CA-C 112.918 0.71 . . . . 25.0 112.918 -171.708 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -81.82 84.02 1.98 Allowed 'Trans proline' 0 C--N 1.4 3.288 0 C-N-CA 122.075 1.85 . . . . 25.0 112.315 176.556 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.211 -0.954 0 CA-C-O 124.996 2.332 . . . . 25.0 113.166 -179.8 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 CA-C-O 122.818 1.232 . . . . 25.0 114.213 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.3 tp -53.82 -31.74 20.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.606 0 C-N-CA 123.97 0.908 . . . . 25.0 112.625 -178.844 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.9 t -64.98 -46.48 91.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 C-N-CA 121.01 -0.276 . . . . 25.0 110.92 178.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.54 -25.24 53.9 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 120.799 -1.188 . . . . 25.0 110.928 -179.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.2 tp60 -69.67 -42.45 74.16 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.345 -0.222 . . . . 25.0 111.426 178.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 90.3 m -110.4 -39.43 4.94 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 115.983 1.846 . . . . 25.0 115.983 -174.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 60.8 m -78.59 -26.59 45.51 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.75 -0.833 . . . . 25.0 108.75 -176.655 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 33.1 m -100.23 -53.5 3.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.352 0.408 . . . . 25.0 111.104 -178.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 65.5 p -106.93 -172.97 2.18 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.985 0.421 . . . . 25.0 111.16 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 27.9 mm -89.92 138.58 19.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 107.244 -1.391 . . . . 25.0 107.244 177.452 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.4 p -132.61 150.75 52.11 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.368 0.604 . . . . 25.0 110.358 177.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.4 p -115.32 166.13 12.2 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.035 -0.53 . . . . 25.0 110.64 -175.129 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.511 ' H ' HD23 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -55.4 -36.82 66.84 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.56 0.695 . . . . 25.0 111.54 178.136 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.42 -40.79 79.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.97 0.891 . . . . 25.0 110.791 178.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -79.76 -40.33 28.98 Favored 'General case' 0 N--CA 1.439 -1.016 0 O-C-N 121.561 -0.712 . . . . 25.0 109.409 -179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.448 HD12 ' HG ' ' B' ' 15' ' ' LEU . 3.6 mm? -56.8 -34.73 67.95 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 122.728 0.411 . . . . 25.0 111.506 -178.285 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -60.44 -28.36 68.23 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 177.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -71.41 -13.15 61.75 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-O 121.18 0.514 . . . . 25.0 111.005 -179.716 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -99.51 6.44 45.88 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.477 0.656 . . . . 25.0 110.257 178.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.2 t -111.78 -46.67 3.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.29 -1.323 . . . . 25.0 107.675 177.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.3 t30 . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 125.367 2.508 . . . . 25.0 111.503 179.346 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 N--CA 1.479 1.021 0 CA-C-O 124.343 2.021 . . . . 25.0 114.179 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 74.9 t -124.58 137.15 58.32 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 114.083 -1.417 . . . . 25.0 107.583 177.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -76.11 130.56 38.49 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.622 -0.881 . . . . 25.0 108.622 177.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -170.4 -178.37 2.7 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 107.05 -1.463 . . . . 25.0 107.05 -172.413 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -80.81 134.01 35.71 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 106.86 -1.533 . . . . 25.0 106.86 175.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 mt -141.41 140.75 33.71 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 109.435 -0.58 . . . . 25.0 109.435 -177.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t -154.16 167.85 28.47 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 119.306 -0.378 . . . . 25.0 110.153 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.07 -142.82 30.83 Favored Glycine 0 C--O 1.244 0.758 0 CA-C-O 122.265 0.925 . . . . 25.0 113.377 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.6 m -62.21 -24.99 67.54 Favored 'General case' 0 C--O 1.217 -0.651 0 O-C-N 122.361 -0.494 . . . . 25.0 111.397 179.182 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -69.87 -33.93 72.9 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 120.835 -1.166 . . . . 25.0 110.085 176.054 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -43.37 82.41 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 109.3 -0.63 . . . . 25.0 109.3 173.257 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 70.6 t -60.77 -41.31 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 N-CA-C 109.188 -0.671 . . . . 25.0 109.188 178.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -62.82 -41.93 99.51 Favored 'General case' 0 C--O 1.205 -1.279 0 C-N-CA 121.956 0.102 . . . . 25.0 111.002 178.744 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -46.23 89.88 Favored 'General case' 0 C--N 1.316 -0.849 0 O-C-N 121.77 -0.581 . . . . 25.0 110.803 178.653 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.448 ' HG ' HD12 ' A' ' 16' ' ' LEU . 0.5 OUTLIER -61.25 -36.94 81.38 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 121.093 0.473 . . . . 25.0 109.938 177.335 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -67.93 -42.31 81.23 Favored 'General case' 0 C--N 1.317 -0.835 0 O-C-N 121.757 -0.589 . . . . 25.0 111.574 176.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.0 mt -66.16 -39.7 89.98 Favored 'General case' 0 CA--C 1.509 -0.625 0 O-C-N 121.303 -0.873 . . . . 25.0 110.714 -177.495 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.36 -33.43 12.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -179.49 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.53 -22.42 1.93 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 117.518 2.414 . . . . 25.0 117.518 -172.45 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.4 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -65.12 -37.15 93.79 Favored Glycine 0 C--O 1.223 -0.567 0 C-N-CA 119.771 -1.204 . . . . 25.0 111.582 176.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -81.27 0.12 38.33 Favored 'General case' 0 CA--C 1.537 0.474 0 O-C-N 122.212 -0.581 . . . . 25.0 111.884 175.1 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -115.03 -20.64 10.41 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 114.264 1.209 . . . . 25.0 114.264 -174.16 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 119.26 134.83 4.97 Favored Glycine 0 C--O 1.225 -0.417 0 N-CA-C 111.056 -0.818 . . . . 25.0 111.056 -179.631 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.55 26.38 6.88 Favored Glycine 0 C--O 1.215 -1.049 0 N-CA-C 114.991 0.757 . . . . 25.0 114.991 176.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.4 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 2.1 t80 -92.48 139.25 30.77 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 117.972 0.886 . . . . 25.0 112.175 179.447 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -105.51 -14.86 15.16 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -178.305 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -80.14 84.58 1.99 Allowed 'Trans proline' 0 C--N 1.393 2.87 0 C-N-CA 122.075 1.85 . . . . 25.0 112.698 176.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.499 1.991 0 CA-C-O 123.87 1.795 . . . . 25.0 112.209 -174.014 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.15 0 CA-C-O 123.504 1.613 . . . . 25.0 114.548 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.9 tp -57.41 -38.27 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.344 -1.68 . . . . 25.0 112.304 -172.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 95.6 t -69.83 -40.12 78.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 -179.091 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -78.19 -3.21 41.46 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 112.57 0.581 . . . . 25.0 112.57 -179.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -98.97 -54.32 3.02 Favored 'General case' 0 C--O 1.211 -0.952 0 N-CA-C 108.88 -0.785 . . . . 25.0 108.88 171.075 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.0 m -84.11 -38.47 20.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 116.753 2.131 . . . . 25.0 116.753 -174.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.3 t -84.0 -13.24 53.77 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.41 -0.806 . . . . 25.0 109.212 -177.108 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.3 m -103.95 -45.03 4.87 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-O 121.361 0.601 . . . . 25.0 111.827 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 m -124.91 -172.82 2.66 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 116.334 -0.394 . . . . 25.0 110.377 -177.219 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.6 mm -84.28 136.56 22.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.502 -1.666 . . . . 25.0 106.502 177.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.0 p -132.1 146.73 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.067 0.46 . . . . 25.0 110.434 174.434 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.8 m -113.13 160.82 17.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.044 -0.98 . . . . 25.0 109.13 -178.067 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -56.59 -31.45 64.27 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 179.388 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 81.1 t80 -60.73 -45.48 94.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.857 0.837 . . . . 25.0 110.372 179.111 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.21 -39.4 68.59 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 -179.339 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.47 -37.57 65.38 Favored 'General case' 0 CA--C 1.521 -0.147 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 178.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.17 -28.71 59.14 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 114.082 1.141 . . . . 25.0 114.082 178.535 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -70.21 -20.45 63.1 Favored 'General case' 0 C--O 1.218 -0.576 0 C-N-CA 120.117 -0.633 . . . . 25.0 110.546 -178.273 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -85.33 -6.12 59.26 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-O 121.337 0.589 . . . . 25.0 110.81 -179.461 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.3 m -84.38 -7.88 59.16 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 178.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 m120 . . . . . 0 C--O 1.217 -0.624 0 CA-C-O 125.31 2.481 . . . . 25.0 109.574 172.462 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.9 t80 . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 123.097 1.427 . . . . 25.0 113.783 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 12.7 p -126.74 143.68 39.4 Favored 'Isoleucine or valine' 0 C--O 1.249 1.027 0 N-CA-C 107.287 -1.375 . . . . 25.0 107.287 173.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -74.59 117.94 16.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.753 -0.832 . . . . 25.0 108.753 -179.006 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 -157.83 -179.78 8.46 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.934 -1.136 . . . . 25.0 107.934 -172.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -75.52 105.18 6.42 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 27.4 mt -103.26 137.52 41.29 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.9 t -151.61 165.53 34.03 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 120.862 0.363 . . . . 25.0 110.714 179.046 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.31 -140.3 28.53 Favored Glycine 0 C--N 1.336 0.566 0 N-CA-C 115.709 1.043 . . . . 25.0 115.709 177.82 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -29.66 70.2 Favored 'General case' 0 CA--C 1.51 -0.567 0 CA-C-O 120.813 0.34 . . . . 25.0 111.462 179.568 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -65.91 -38.49 88.84 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.833 -0.542 . . . . 25.0 109.695 176.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.51 -43.67 96.52 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 122.037 -0.414 . . . . 25.0 110.024 174.842 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 92.6 t -62.5 -41.78 93.23 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 C-N-CA 119.675 -0.81 . . . . 25.0 110.632 179.581 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -62.06 -42.55 99.31 Favored 'General case' 0 C--O 1.208 -1.132 0 O-C-N 121.565 -0.709 . . . . 25.0 111.495 176.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.79 -46.16 90.75 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.399 -179.124 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 2.7 mt -61.87 -38.98 90.29 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 120.846 0.355 . . . . 25.0 111.631 177.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -63.25 -42.64 99.21 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 122.02 -0.425 . . . . 25.0 111.272 176.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 46.2 mt -68.76 -39.74 80.11 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 119.841 -0.744 . . . . 25.0 110.852 -176.04 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.8 p -81.68 -33.61 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 N-CA-C 113.213 0.82 . . . . 25.0 113.213 -179.019 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.5 m -125.61 -30.25 3.09 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 116.221 1.934 . . . . 25.0 116.221 -174.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.76 -28.21 73.66 Favored Glycine 0 C--O 1.223 -0.544 0 O-C-N 120.885 -1.134 . . . . 25.0 111.423 178.546 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -96.37 10.51 37.86 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.198 0.523 . . . . 25.0 110.528 177.218 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -113.24 -48.83 2.94 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.22 0.533 . . . . 25.0 110.875 179.768 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.01 68.42 0.07 OUTLIER Glycine 0 C--O 1.21 -1.357 0 CA-C-N 114.925 -1.034 . . . . 25.0 111.433 -175.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.19 86.94 0.06 OUTLIER Glycine 0 C--O 1.219 -0.842 0 N-CA-C 110.299 -1.12 . . . . 25.0 110.299 -179.323 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -152.0 152.54 32.58 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 -176.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -117.37 -3.83 11.39 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.522 0.514 . . . . 25.0 111.6 -177.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -77.88 75.74 4.65 Favored 'Trans proline' 0 C--N 1.402 3.364 0 C-N-CA 121.343 1.362 . . . . 25.0 113.526 178.742 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 42.4 p . . . . . 0 N--CA 1.495 1.808 0 C-N-CA 125.426 1.491 . . . . 25.0 111.107 178.646 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.283 0 CA-C-O 123.074 1.375 . . . . 25.0 115.086 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp -57.5 -33.57 44.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 121.156 -1.203 . . . . 25.0 112.092 -177.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.8 t -66.27 -43.3 91.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 O-C-N 121.71 -0.619 . . . . 25.0 110.302 178.177 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 79.0 mt-10 -72.33 -20.66 61.45 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 121.773 -0.579 . . . . 25.0 111.905 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -91.42 -36.26 13.89 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.112 0.782 . . . . 25.0 113.112 179.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.3 m -107.14 -36.6 6.52 Favored 'General case' 0 C--O 1.22 -0.47 0 N-CA-C 115.374 1.62 . . . . 25.0 115.374 -176.073 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 66.5 m -80.31 -48.82 12.43 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 179.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.3 m -72.68 -47.81 44.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.863 0.69 . . . . 25.0 112.863 -177.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.9 p -112.72 -178.92 3.51 Favored 'General case' 0 C--O 1.22 -0.498 0 O-C-N 121.806 -0.559 . . . . 25.0 110.941 -179.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.8 mm -86.99 131.1 35.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 107.111 -1.44 . . . . 25.0 107.111 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.7 p -130.18 160.64 33.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.097 0.475 . . . . 25.0 109.808 176.271 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 96.2 p -129.38 170.65 13.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.802 -0.635 . . . . 25.0 109.951 -173.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' H ' HD23 ' A' ' 13' ' ' LEU . 1.7 pt? -58.24 -33.04 68.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.103 0.477 . . . . 25.0 111.457 177.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -61.23 -42.83 99.29 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.079 -0.51 . . . . 25.0 110.737 179.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -69.1 -46.25 68.18 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 176.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.451 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 4.1 mp -56.42 -34.46 66.8 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 -175.053 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -57.49 -33.64 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.862 0.363 . . . . 25.0 111.719 177.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -71.21 -19.26 62.41 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.713 -0.617 . . . . 25.0 111.596 -178.427 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.451 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 94.5 m-85 -88.29 -6.62 57.66 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.557 -0.534 . . . . 25.0 109.557 178.318 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 18.3 t -91.26 -46.38 8.09 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 107.929 -1.138 . . . . 25.0 107.929 177.478 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 . . . . . 0 C--O 1.21 -1.018 0 CA-C-O 122.909 1.337 . . . . 25.0 112.853 175.266 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 123.054 1.407 . . . . 25.0 114.499 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 9.5 p -115.2 142.38 28.36 Favored 'Isoleucine or valine' 0 C--O 1.239 0.518 0 N-CA-C 107.551 -1.278 . . . . 25.0 107.551 173.385 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -72.63 139.86 47.63 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.196 -1.039 . . . . 25.0 108.196 -179.306 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -167.66 -179.72 4.45 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 107.717 -1.216 . . . . 25.0 107.717 -172.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -79.93 97.22 6.64 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.257 -1.016 . . . . 25.0 108.257 171.212 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 38.1 mt -91.48 134.97 34.19 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 179.457 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 t -149.31 161.97 40.99 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.804 -0.358 . . . . 25.0 111.067 178.907 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.96 -137.98 27.02 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 115.437 0.935 . . . . 25.0 115.437 177.876 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -59.75 -32.26 70.41 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 115.465 -0.368 . . . . 25.0 111.247 179.381 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 7.5 t-160 -63.47 -38.87 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.035 -0.415 . . . . 25.0 110.539 176.574 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -46.04 87.26 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.761 -0.459 . . . . 25.0 109.761 175.103 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 50.2 t -63.42 -41.72 93.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 120.27 -0.572 . . . . 25.0 110.447 -179.49 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -61.44 -41.83 97.8 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 122.268 0.227 . . . . 25.0 110.591 178.867 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.83 97.34 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.016 -0.428 . . . . 25.0 110.55 178.394 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mt -65.13 -35.15 80.19 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.727 0.299 . . . . 25.0 110.856 177.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -66.44 -43.44 85.61 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 121.908 -0.495 . . . . 25.0 110.359 176.421 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -67.19 -40.53 86.53 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.697 -176.27 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 8.2 p -79.57 -35.03 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 119.976 -0.69 . . . . 25.0 112.71 -179.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -131.5 -32.46 1.52 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 117.831 2.53 . . . . 25.0 117.831 -176.234 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . 0.483 ' HA2' ' HB2' ' B' ' 25' ' ' PHE . . . -58.65 -44.2 95.8 Favored Glycine 0 CA--C 1.508 -0.371 0 C-N-CA 120.643 -0.789 . . . . 25.0 112.29 -177.976 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -78.72 13.1 1.78 Allowed 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.906 0.706 . . . . 25.0 112.906 178.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.86 1.6 37.2 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 120.946 0.403 . . . . 25.0 110.409 172.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.92 29.72 30.91 Favored Glycine 0 C--O 1.226 -0.375 0 CA-C-N 115.73 -0.668 . . . . 25.0 114.683 177.595 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.44 -126.27 3.35 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 108.317 -1.913 . . . . 25.0 108.317 176.701 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.483 ' HB2' ' HA2' ' B' ' 20' ' ' GLY . 1.3 t80 71.77 173.18 0.31 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 116.168 1.914 . . . . 25.0 116.168 170.647 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.2 p90 -123.2 -2.25 8.62 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 115.628 -0.715 . . . . 25.0 111.22 -175.67 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -79.46 79.75 3.28 Favored 'Trans proline' 0 C--N 1.399 3.212 0 C-N-CA 121.718 1.612 . . . . 25.0 112.806 175.841 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 11.4 t . . . . . 0 N--CA 1.484 1.267 0 CA-C-O 124.493 2.092 . . . . 25.0 112.026 -179.187 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.567 0 CA-C-O 123.972 1.873 . . . . 25.0 114.811 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.5 tp -52.79 -34.54 20.23 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 O-C-N 120.864 -1.374 . . . . 25.0 113.165 -175.729 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 62.6 t -66.65 -46.67 85.4 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 O-C-N 121.107 -0.996 . . . . 25.0 109.146 -179.545 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.35 -14.12 60.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.146 -0.479 . . . . 25.0 112.269 -175.626 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -99.09 -37.17 9.44 Favored 'General case' 0 C--O 1.207 -1.153 0 CA-C-O 120.925 0.393 . . . . 25.0 111.465 176.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 11.4 t -109.36 -30.06 8.16 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 115.694 1.738 . . . . 25.0 115.694 -170.61 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 82.6 m -82.0 -49.58 10.09 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 105.502 -2.036 . . . . 25.0 105.502 174.587 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.9 m -70.93 -43.7 67.68 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 -177.652 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.13 -178.35 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 121.833 -0.542 . . . . 25.0 111.083 -177.271 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.3 mm -86.41 127.85 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.2 p -119.51 131.37 55.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.075 0.464 . . . . 25.0 110.656 -179.147 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.8 m -99.4 167.1 10.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 177.749 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pp -58.44 -32.48 68.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 120.778 0.323 . . . . 25.0 111.466 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -61.69 -39.19 90.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.565 0.698 . . . . 25.0 110.823 178.619 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -72.34 -42.66 65.11 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 177.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.02 -31.33 69.85 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 111.827 0.306 . . . . 25.0 111.827 -177.448 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -60.5 -27.46 67.6 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.516 0.562 . . . . 25.0 112.516 176.365 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -66.91 -17.06 64.72 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.732 -0.605 . . . . 25.0 110.604 179.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -102.08 12.84 36.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.272 -0.422 . . . . 25.0 110.61 -177.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.0 m -59.27 -37.77 78.45 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 121.291 0.567 . . . . 25.0 110.045 173.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 N--CA 1.486 1.341 0 C-N-CA 125.659 1.584 . . . . 25.0 114.833 176.343 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.483 1.179 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 57.7 t -108.48 129.28 63.17 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 O-C-N 120.501 -1.375 . . . . 25.0 109.417 176.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 14.0 p-10 -78.24 120.51 23.13 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.799 -1.091 . . . . 25.0 108.155 175.594 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -163.18 -179.77 6.89 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.554 -2.017 . . . . 25.0 105.554 -174.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -73.69 124.47 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 172.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 12.2 mt -128.88 137.76 51.64 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 106.706 -1.591 . . . . 25.0 106.706 -177.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -149.82 167.17 27.31 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.44 -178.239 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 51.39 -136.69 30.99 Favored Glycine 0 C--O 1.244 0.769 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 178.258 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -61.28 -32.55 72.38 Favored 'General case' 0 C--O 1.215 -0.751 0 CA-C-N 115.638 -0.281 . . . . 25.0 111.178 -179.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -65.49 -37.2 86.13 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.336 -0.545 . . . . 25.0 109.696 178.297 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.52 -49.46 66.46 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.497 -0.481 . . . . 25.0 111.265 176.807 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -67.59 -30.05 47.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 C-N-CA 119.252 -0.979 . . . . 25.0 109.766 -176.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.0 -46.23 88.64 Favored 'General case' 0 C--O 1.214 -0.779 0 O-C-N 121.693 -0.629 . . . . 25.0 110.677 172.023 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -44.12 97.74 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.362 -0.836 . . . . 25.0 109.406 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.86 -34.97 79.14 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 179.52 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -68.46 -41.57 80.02 Favored 'General case' 0 C--O 1.215 -0.746 0 C-N-CA 120.98 -0.288 . . . . 25.0 110.636 176.322 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.2 mt -65.72 -39.84 91.6 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.577 -0.702 . . . . 25.0 110.934 -177.674 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.4 p -84.33 -34.44 9.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 113.051 0.76 . . . . 25.0 113.051 -178.319 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 6.3 t -126.15 -32.34 2.75 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 115.845 1.794 . . . . 25.0 115.845 -172.169 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.19 -31.23 78.58 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.354 -1.098 . . . . 25.0 110.354 178.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.65 25.9 1.39 Allowed 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 123.201 0.6 . . . . 25.0 110.39 176.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -147.63 -46.59 0.17 Allowed 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 115.498 1.666 . . . . 25.0 115.498 -173.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -118.49 -135.38 5.22 Favored Glycine 0 C--O 1.212 -1.244 0 N-CA-C 111.934 -0.466 . . . . 25.0 111.934 -178.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -99.65 -27.15 8.14 Favored Glycine 0 N--CA 1.461 0.328 0 N-CA-C 114.605 0.602 . . . . 25.0 114.605 -175.222 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.2 t80 60.57 -176.82 0.11 Allowed 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 123.505 0.722 . . . . 25.0 111.144 -178.487 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -139.43 -0.62 1.77 Allowed 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 112.851 0.686 . . . . 25.0 112.851 -178.271 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -80.17 75.57 4.98 Favored 'Trans proline' 0 C--N 1.389 2.683 0 C-N-CA 122.452 2.101 . . . . 25.0 113.181 -178.558 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.499 2.012 0 CA-C-O 123.702 1.715 . . . . 25.0 111.499 -175.424 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.527 0 CA-C-O 123.521 1.623 . . . . 25.0 114.455 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.0 tp -59.97 -35.53 61.53 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 O-C-N 121.71 -0.876 . . . . 25.0 109.953 177.468 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.0 p -69.88 -34.72 61.53 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.827 0 O-C-N 121.713 -0.617 . . . . 25.0 110.31 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -77.43 -20.98 53.73 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.301 0.572 . . . . 25.0 110.119 -178.61 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -88.32 -39.02 14.68 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 112.579 0.585 . . . . 25.0 112.579 178.723 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.2 m -105.63 -32.71 8.34 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 116.456 2.021 . . . . 25.0 116.456 -174.804 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.1 t -80.1 -52.84 7.3 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 106.227 -1.768 . . . . 25.0 106.227 -179.898 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.6 m -67.04 -45.29 77.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.896 -1.047 . . . . 25.0 113.113 178.399 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.5 m -120.51 -176.03 3.14 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 -174.069 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 37.6 mm -91.57 134.83 28.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 106.373 -1.714 . . . . 25.0 106.373 177.872 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -133.28 146.86 51.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.162 -1.051 . . . . 25.0 108.162 176.75 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.2 m -110.84 168.61 9.35 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 115.116 -0.947 . . . . 25.0 109.089 -177.165 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -55.31 -32.15 62.22 Favored 'General case' 0 C--O 1.221 -0.44 0 CA-C-N 116.009 -0.542 . . . . 25.0 112.411 -179.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -62.42 -43.32 99.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.954 0.353 . . . . 25.0 111.954 179.325 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -70.64 -43.8 68.46 Favored 'General case' 0 C--O 1.216 -0.665 0 N-CA-C 108.319 -0.993 . . . . 25.0 108.319 177.692 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' HB3' HG11 ' B' ' 18' ' ' VAL . 3.3 mm? -52.33 -40.28 61.73 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -178.689 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -57.95 -32.41 67.79 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.648 0.61 . . . . 25.0 112.648 179.317 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -69.02 -20.77 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 118.406 0.548 . . . . 25.0 111.403 -179.053 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -84.64 -5.2 59.3 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-O 121.297 0.57 . . . . 25.0 110.691 179.229 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.0 t -84.46 -35.81 22.74 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 178.239 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 CA--C 1.546 0.821 0 CA-C-O 125.224 2.44 . . . . 25.0 112.152 174.562 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 8.7 t80 . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 123.104 1.43 . . . . 25.0 114.732 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 59.5 t -110.13 131.33 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 120.851 -1.156 . . . . 25.0 109.516 176.622 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -74.74 122.09 22.74 Favored 'General case' 0 C--O 1.216 -0.689 0 O-C-N 123.926 0.766 . . . . 25.0 109.333 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -163.6 173.46 12.96 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 -173.263 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -71.66 131.52 43.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.402 -1.333 . . . . 25.0 107.402 174.635 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -136.72 137.6 40.12 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 108.264 -1.013 . . . . 25.0 108.264 -176.781 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -148.33 163.08 38.17 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 -177.902 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.35 -136.51 11.84 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 116.865 1.506 . . . . 25.0 116.865 178.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.49 -27.67 68.75 Favored 'General case' 0 C--O 1.211 -0.962 0 O-C-N 122.199 -0.589 . . . . 25.0 112.379 179.339 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -67.53 -37.74 83.18 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 121.596 -0.69 . . . . 25.0 109.433 176.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -44.06 90.35 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 109.358 -0.608 . . . . 25.0 109.358 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -36.64 78.09 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 C-N-CA 120.86 -0.336 . . . . 25.0 111.037 -179.142 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.04 -43.9 97.85 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 110.269 -0.271 . . . . 25.0 110.269 175.083 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.18 -44.73 94.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.679 -0.408 . . . . 25.0 110.828 178.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.05 -35.46 80.31 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.302 0.572 . . . . 25.0 109.913 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 45.6 t80 -68.66 -41.34 79.43 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.007 -0.542 . . . . 25.0 111.953 177.181 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.43 75.46 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 121.751 -0.593 . . . . 25.0 111.118 -177.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 16' ' ' LEU . 13.9 p -79.69 -32.04 14.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 113.445 0.906 . . . . 25.0 113.445 -178.348 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -135.89 -26.4 1.19 Allowed 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 117.061 2.245 . . . . 25.0 117.061 -177.403 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.64 -39.31 96.38 Favored Glycine 0 C--O 1.213 -1.172 0 C-N-CA 119.952 -1.118 . . . . 25.0 111.538 179.062 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 86.2 mt-10 -82.12 12.68 4.01 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 113.296 0.85 . . . . 25.0 113.296 177.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -138.39 -37.61 0.55 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.671 1.73 . . . . 25.0 115.671 -175.57 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -111.53 -16.18 9.67 Favored Glycine 0 C--O 1.222 -0.617 0 N-CA-C 116.323 1.289 . . . . 25.0 116.323 -173.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 122.7 -31.38 4.81 Favored Glycine 0 CA--C 1.526 0.75 0 CA-C-N 118.042 0.921 . . . . 25.0 115.012 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 62.73 179.46 0.14 Allowed 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 114.314 1.228 . . . . 25.0 114.314 177.748 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -127.58 -5.02 5.89 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.938 0.495 . . . . 25.0 111.383 -177.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -82.28 83.26 2.08 Favored 'Trans proline' 0 C--N 1.395 2.992 0 C-N-CA 122.743 2.295 . . . . 25.0 111.684 175.129 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 124.568 2.128 . . . . 25.0 110.878 177.874 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.81 0 CA-C-O 122.754 1.197 . . . . 25.0 114.698 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.9 tp -60.88 -31.78 50.54 Favored 'Isoleucine or valine' 0 C--N 1.344 0.334 0 O-C-N 121.361 -1.082 . . . . 25.0 111.905 -175.725 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 72.9 t -67.94 -45.66 83.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.684 0 O-C-N 121.495 -0.753 . . . . 25.0 109.97 -179.676 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -68.29 -32.07 71.96 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.693 0.758 . . . . 25.0 111.82 -179.073 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -75.38 -44.09 46.79 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 115.768 -0.651 . . . . 25.0 110.944 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -108.16 -41.58 4.87 Favored 'General case' 0 C--O 1.218 -0.593 0 N-CA-C 116.668 2.099 . . . . 25.0 116.668 -172.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 86.0 m -72.94 -45.49 57.79 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 -178.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 42.1 m -80.57 -46.47 15.68 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.435 -0.802 . . . . 25.0 112.218 -178.068 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.3 m -114.7 178.79 4.15 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 -174.942 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.3 mm -84.42 130.55 35.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 N-CA-C 105.862 -1.903 . . . . 25.0 105.862 178.27 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.9 p -127.88 150.81 49.7 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.444 0.64 . . . . 25.0 109.601 175.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 85.3 p -112.64 168.66 9.48 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 115.255 -0.884 . . . . 25.0 110.721 -174.816 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.94 -29.29 70.13 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 120.763 0.316 . . . . 25.0 110.957 -179.16 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -63.97 -44.08 93.81 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.74 0.781 . . . . 25.0 111.327 178.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -68.81 -43.44 75.59 Favored 'General case' 0 C--O 1.211 -0.952 0 O-C-N 121.788 -0.57 . . . . 25.0 110.195 176.02 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' HB3' HG11 ' B' ' 18' ' ' VAL . 2.7 mm? -55.58 -36.78 67.24 Favored 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -61.2 -30.54 70.48 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 121.63 -0.669 . . . . 25.0 112.304 177.585 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -73.25 -13.65 61.18 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 121.869 -0.519 . . . . 25.0 110.519 -177.217 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -92.3 -4.52 53.85 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.044 177.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.6 t -103.87 -41.15 5.97 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.73 0.776 . . . . 25.0 109.957 178.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 49.4 t30 . . . . . 0 N--CA 1.445 -0.715 0 CA-C-O 125.154 2.407 . . . . 25.0 111.415 176.802 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 5.6 t80 . . . . . 0 N--CA 1.495 1.802 0 CA-C-O 123.102 1.429 . . . . 25.0 114.624 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.4 145.63 32.49 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.223 0 N-CA-C 106.966 -1.494 . . . . 25.0 106.966 171.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -73.45 132.93 43.5 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.988 -1.116 . . . . 25.0 107.988 -177.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -166.11 -178.53 4.68 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 108.332 -0.988 . . . . 25.0 108.332 -173.832 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -79.99 136.64 36.66 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.603 -1.258 . . . . 25.0 107.603 170.955 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.2 mt -138.39 141.89 39.61 Favored 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 -178.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 1.2 t -153.33 165.11 36.8 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.947 -0.39 . . . . 25.0 109.947 178.589 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 48.76 -132.41 22.58 Favored Glycine 0 C--O 1.248 0.99 0 N-CA-C 115.72 1.048 . . . . 25.0 115.72 177.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -62.81 -30.61 71.61 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.041 -0.579 . . . . 25.0 111.692 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -70.6 -33.59 71.21 Favored 'General case' 0 C--O 1.213 -0.834 0 O-C-N 121.161 -0.962 . . . . 25.0 109.594 177.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.67 -46.33 79.5 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 121.014 -0.274 . . . . 25.0 110.296 175.853 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -69.73 -28.52 37.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 C-N-CA 118.603 -1.239 . . . . 25.0 110.666 -178.625 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -65.59 -40.72 93.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.476 -0.329 . . . . 25.0 110.731 172.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.29 -44.0 93.0 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 121.589 -0.694 . . . . 25.0 110.272 178.514 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.23 -38.36 79.8 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.33 177.402 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -67.02 -44.79 79.4 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 121.935 -0.478 . . . . 25.0 111.27 177.675 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 67.8 mt -67.16 -38.17 85.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.921 -0.487 . . . . 25.0 111.104 -176.027 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.443 HG11 ' HB3' ' A' ' 16' ' ' LEU . 9.5 p -82.51 -33.26 10.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 N-CA-C 114.102 1.149 . . . . 25.0 114.102 -179.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.3 t -125.33 -40.09 2.15 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 116.714 2.116 . . . . 25.0 116.714 -177.685 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.31 -37.49 93.15 Favored Glycine 0 C--O 1.215 -1.068 0 C-N-CA 120.702 -0.761 . . . . 25.0 114.365 -176.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -69.1 -12.06 61.34 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.814 -0.815 . . . . 25.0 112.485 178.82 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -86.0 -18.72 31.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.727 0.64 . . . . 25.0 112.727 -178.963 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.31 14.19 7.8 Favored Glycine 0 N--CA 1.471 0.973 0 N-CA-C 116.34 1.296 . . . . 25.0 116.34 175.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.99 -118.33 4.31 Favored Glycine 0 C--O 1.223 -0.536 0 N-CA-C 110.348 -1.101 . . . . 25.0 110.348 176.677 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 74.48 166.78 0.29 Allowed 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 117.311 2.337 . . . . 25.0 117.311 172.228 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -135.0 -6.1 2.38 Favored 'General case' 0 C--O 1.22 -0.454 0 CA-C-N 115.452 -0.795 . . . . 25.0 112.541 -174.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_endo -78.21 83.03 2.29 Favored 'Trans proline' 0 C--N 1.409 3.754 0 C-N-CA 122.09 1.86 . . . . 25.0 113.553 179.386 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 124.433 2.063 . . . . 25.0 111.345 -179.664 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.635 0 N-CA-C 116.936 1.534 . . . . 25.0 116.936 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.2 tp -52.97 -38.66 29.56 Favored 'Isoleucine or valine' 0 C--N 1.35 0.602 0 O-C-N 121.525 -0.985 . . . . 25.0 112.683 -177.504 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t -71.1 -42.71 76.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.733 0 O-C-N 120.899 -1.125 . . . . 25.0 111.123 -177.546 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.4 mp0 -70.0 -27.57 64.8 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-O 121.369 0.605 . . . . 25.0 110.141 179.51 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -84.3 -35.02 23.6 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -178.87 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 94.1 m -109.09 -36.9 5.94 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 116.531 2.048 . . . . 25.0 116.531 -177.53 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.2 t -81.88 -24.23 35.86 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 120.792 -1.192 . . . . 25.0 108.93 -176.819 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 27.1 m -104.72 -48.25 3.83 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.743 -0.662 . . . . 25.0 112.275 177.761 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 m -108.17 -177.6 3.37 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.775 0.798 . . . . 25.0 111.615 -179.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.7 mm -85.88 137.1 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 N-CA-C 105.519 -2.03 . . . . 25.0 105.519 174.287 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -135.11 153.44 52.01 Favored 'General case' 0 C--O 1.247 0.937 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 174.381 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -119.58 171.52 8.31 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.566 -0.902 . . . . 25.0 108.566 -177.42 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.01 -34.69 63.68 Favored 'General case' 0 C--N 1.32 -0.689 0 O-C-N 123.619 0.575 . . . . 25.0 110.413 -178.552 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -59.67 -50.13 75.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.05 -0.523 . . . . 25.0 111.813 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -65.71 -43.31 89.49 Favored 'General case' 0 C--O 1.206 -1.213 0 N-CA-C 109.334 -0.617 . . . . 25.0 109.334 179.482 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mp -55.92 -38.3 70.09 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 114.193 1.183 . . . . 25.0 114.193 -178.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -60.57 -24.56 65.53 Favored 'General case' 0 CA--C 1.548 0.893 0 N-CA-C 113.8 1.037 . . . . 25.0 113.8 176.902 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -66.11 -17.83 64.96 Favored 'General case' 0 CA--C 1.552 1.055 0 CA-C-N 119.071 0.85 . . . . 25.0 110.382 175.676 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -105.15 17.95 23.18 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.835 0.854 . . . . 25.0 110.737 179.507 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.2 t -62.13 -32.78 73.41 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 123.059 1.409 . . . . 25.0 108.343 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.4 t30 . . . . . 0 N--CA 1.488 1.432 0 C-N-CA 126.743 2.017 . . . . 25.0 115.492 174.314 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 4.5 t80 . . . . . 0 N--CA 1.501 2.109 0 CA-C-O 122.84 1.305 . . . . 25.0 114.499 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 13.1 p -130.4 143.74 40.07 Favored 'Isoleucine or valine' 0 C--O 1.252 1.217 0 O-C-N 121.149 -0.969 . . . . 25.0 108.845 178.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -81.0 128.38 33.63 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.705 -0.68 . . . . 25.0 110.6 -176.569 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -164.8 176.57 8.64 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 106.422 -1.695 . . . . 25.0 106.422 -174.499 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -77.35 136.66 38.47 Favored 'General case' 0 C--O 1.192 -1.928 0 N-CA-C 106.523 -1.658 . . . . 25.0 106.523 173.276 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 mt -137.8 139.91 40.26 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.666 -1.235 . . . . 25.0 107.666 -177.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -150.96 168.05 25.73 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 108.11 -1.07 . . . . 25.0 108.11 179.614 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 52.3 -139.29 30.44 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 116.158 1.223 . . . . 25.0 116.158 178.603 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.0 m -63.1 -27.58 69.49 Favored 'General case' 0 C--O 1.215 -0.751 0 O-C-N 122.13 -0.63 . . . . 25.0 112.415 178.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -69.83 -33.09 71.84 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 118.292 0.496 . . . . 25.0 109.863 176.833 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -44.64 80.12 Favored 'General case' 0 C--O 1.214 -0.803 0 N-CA-C 107.674 -1.232 . . . . 25.0 107.674 174.583 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.1 -42.6 90.55 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.817 0 C-N-CA 120.304 -0.558 . . . . 25.0 110.207 -179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -57.37 -46.06 83.77 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 111.695 0.257 . . . . 25.0 111.695 176.224 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.2 -44.07 96.39 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.715 -0.394 . . . . 25.0 111.181 -177.704 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.37 -37.49 85.92 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 123.303 0.377 . . . . 25.0 111.989 177.023 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -64.06 -45.63 87.94 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.875 -0.148 . . . . 25.0 110.884 174.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.04 -38.02 87.33 Favored 'General case' 0 C--O 1.218 -0.594 0 O-C-N 121.754 -0.591 . . . . 25.0 111.304 -175.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 p -81.65 -35.86 14.03 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 N-CA-C 114.24 1.2 . . . . 25.0 114.24 179.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.19 -29.41 2.75 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.573 1.694 . . . . 25.0 115.573 -175.267 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.59 -27.73 72.89 Favored Glycine 0 C--N 1.315 -0.597 0 C-N-CA 120.702 -0.761 . . . . 25.0 111.281 175.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -93.9 21.81 6.27 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 111.902 0.334 . . . . 25.0 111.902 175.387 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -123.81 -63.37 1.23 Allowed 'General case' 0 C--O 1.222 -0.368 0 N-CA-C 108.8 -0.815 . . . . 25.0 108.8 175.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.61 84.73 0.05 OUTLIER Glycine 0 CA--C 1.506 -0.481 0 CA-C-N 115.48 -0.782 . . . . 25.0 111.344 -178.275 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 144.07 113.6 0.9 Allowed Glycine 0 CA--C 1.518 0.229 0 N-CA-C 111.203 -0.759 . . . . 25.0 111.203 -177.104 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -158.66 163.31 37.0 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 107.136 -1.431 . . . . 25.0 107.136 178.338 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -123.74 -0.71 8.52 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.165 0.916 . . . . 25.0 112.946 -173.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -77.43 83.81 2.08 Favored 'Trans proline' 0 C--N 1.399 3.193 0 C-N-CA 120.39 0.727 . . . . 25.0 113.09 179.748 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.501 2.115 0 CA-C-O 124.306 2.003 . . . . 25.0 109.751 -177.523 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 2.569 0 CA-C-O 123.34 1.522 . . . . 25.0 115.255 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tp -60.94 -32.68 53.04 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 O-C-N 120.044 -1.856 . . . . 25.0 112.567 -173.293 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 75.1 t -74.52 -44.31 47.57 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 O-C-N 121.015 -1.053 . . . . 25.0 109.194 179.29 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.3 mp0 -64.03 -32.03 73.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.693 -0.685 . . . . 25.0 110.647 -178.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -85.01 -40.57 16.72 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 113.519 0.933 . . . . 25.0 113.519 -179.083 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 91.3 m -102.44 -39.15 7.26 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 64.7 m -78.25 -53.61 7.14 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 107.456 -1.313 . . . . 25.0 107.456 -178.762 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.1 m -71.5 -44.24 65.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.464 -0.789 . . . . 25.0 112.539 -179.084 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 m -116.49 -175.33 2.73 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 122.131 -0.355 . . . . 25.0 111.414 -176.443 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 32.1 mm -89.08 140.16 16.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 107.028 -1.471 . . . . 25.0 107.028 177.062 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.7 p -133.33 152.75 51.94 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.245 0.831 . . . . 25.0 113.245 174.154 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.9 p -118.28 168.17 10.85 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.797 -0.638 . . . . 25.0 110.011 -177.596 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 pp -60.8 -32.44 71.8 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 122.003 -0.436 . . . . 25.0 111.939 178.625 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -61.43 -43.24 99.21 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 121.805 0.812 . . . . 25.0 110.077 -179.732 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -71.06 -43.22 68.23 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 121.929 -0.482 . . . . 25.0 109.748 178.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' TYR . 5.8 mt -56.11 -37.05 68.89 Favored 'General case' 0 C--O 1.226 -0.166 0 N-CA-C 112.555 0.576 . . . . 25.0 112.555 -179.47 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.72 -31.86 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 121.673 -0.642 . . . . 25.0 112.695 175.315 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -71.65 -18.9 62.16 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 120.603 -1.311 . . . . 25.0 110.653 -179.238 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.422 ' HD2' ' HA ' ' A' ' 16' ' ' LEU . 99.5 m-85 -86.61 -2.45 58.51 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.908 0.861 . . . . 25.0 110.689 177.226 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 21.1 t -85.58 -12.14 52.28 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 177.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.2 m120 . . . . . 0 C--O 1.204 -1.307 0 CA-C-O 123.486 1.613 . . . . 25.0 110.633 177.116 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 3.7 t80 . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 123.537 1.637 . . . . 25.0 114.901 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 58.0 t -121.99 138.45 52.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 107.153 -1.425 . . . . 25.0 107.153 176.474 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -77.01 131.13 38.29 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -166.95 -178.54 4.27 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 -174.943 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -78.15 135.62 37.69 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.477 -0.934 . . . . 25.0 108.477 172.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 43.4 mt -139.55 145.32 38.5 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 108.754 -0.832 . . . . 25.0 108.754 179.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -153.37 169.36 23.31 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.097 -0.705 . . . . 25.0 109.097 179.731 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 50.98 -143.89 13.64 Favored Glycine 0 CA--C 1.525 0.664 0 CA-C-O 122.255 0.919 . . . . 25.0 114.958 179.463 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -59.26 -26.57 65.03 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 112.877 0.695 . . . . 25.0 112.877 178.612 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -38.66 87.85 Favored 'General case' 0 C--O 1.247 0.97 0 CA-C-O 121.086 0.469 . . . . 25.0 110.488 176.049 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.17 -45.39 85.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.469 -0.787 . . . . 25.0 108.879 175.411 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 79.8 t -60.35 -41.8 88.51 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.979 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 179.209 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -60.76 -45.1 95.63 Favored 'General case' 0 CA--C 1.509 -0.613 0 O-C-N 121.696 -0.627 . . . . 25.0 111.261 178.015 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.46 96.18 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.691 -0.404 . . . . 25.0 111.266 179.811 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -37.11 85.9 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.316 0.579 . . . . 25.0 109.727 178.53 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -65.64 -44.8 85.27 Favored 'General case' 0 CA--C 1.512 -0.496 0 O-C-N 122.054 -0.404 . . . . 25.0 110.937 176.566 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 47.7 mt -65.12 -40.81 95.0 Favored 'General case' 0 C--N 1.318 -0.796 0 C-N-CA 120.171 -0.611 . . . . 25.0 111.05 -176.665 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 14.3 p -75.43 -40.35 41.97 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 C-N-CA 119.59 -0.844 . . . . 25.0 113.19 179.284 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.33 -23.04 2.43 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 118.08 2.622 . . . . 25.0 118.08 -171.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -64.43 -33.63 87.77 Favored Glycine 0 C--O 1.221 -0.716 0 N-CA-C 109.571 -1.411 . . . . 25.0 109.571 176.301 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -81.6 10.49 5.89 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 175.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.3 -43.19 3.38 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.971 -0.381 . . . . 25.0 109.971 174.764 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.62 33.7 0.38 Allowed Glycine 0 C--O 1.216 -1.023 0 N-CA-C 117.154 1.622 . . . . 25.0 117.154 175.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.24 51.99 0.78 Allowed Glycine 0 N--CA 1.465 0.586 0 CA-C-N 118.439 1.119 . . . . 25.0 111.824 179.556 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -107.04 142.27 36.95 Favored 'General case' 0 C--N 1.319 -0.723 0 O-C-N 121.968 -0.724 . . . . 25.0 112.733 -175.324 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -100.29 -5.24 27.76 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 123.384 0.674 . . . . 25.0 111.509 -179.024 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_endo -78.57 83.66 2.19 Favored 'Trans proline' 0 C--N 1.399 3.2 0 C-N-CA 121.78 1.653 . . . . 25.0 112.78 176.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.488 1.46 0 CA-C-O 123.896 1.808 . . . . 25.0 112.641 -176.065 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.051 0 N-CA-C 114.779 0.671 . . . . 25.0 114.779 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.7 tp -174.69 -46.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.394 0 C-N-CA 125.382 1.473 . . . . 25.0 111.59 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 94.9 t -64.52 -39.39 85.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 O-C-N 120.48 -1.388 . . . . 25.0 110.021 -175.513 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -76.87 2.5 14.43 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.711 0.634 . . . . 25.0 112.711 -177.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -115.79 -37.62 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.369 0.604 . . . . 25.0 111.982 174.889 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.4 m -98.14 -22.34 16.26 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.85 1.056 . . . . 25.0 113.85 -177.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.8 t -98.93 -54.39 3.01 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 17.2 m -63.53 -35.3 80.04 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.193 -0.912 . . . . 25.0 111.914 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -127.93 -173.86 3.05 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.243 -0.91 . . . . 25.0 109.655 177.008 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 19.1 mm -91.75 137.73 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 179.571 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 p -136.18 165.09 26.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 107.165 -1.42 . . . . 25.0 107.165 172.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.5 t -126.55 173.7 9.23 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -176.948 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.56 -32.99 43.74 Favored 'General case' 0 C--O 1.244 0.813 0 N-CA-C 113.018 0.748 . . . . 25.0 113.018 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -62.16 -40.21 95.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.073 179.121 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -73.83 -45.87 48.64 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.496 -0.927 . . . . 25.0 108.496 178.73 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.461 HD12 ' HG ' ' B' ' 15' ' ' LEU . 0.6 OUTLIER -54.04 -39.4 66.17 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -178.081 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -58.62 -35.09 71.94 Favored 'General case' 0 C--O 1.207 -1.165 0 CA-C-N 117.558 0.163 . . . . 25.0 111.066 179.074 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -69.34 -21.91 63.79 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 120.934 -1.103 . . . . 25.0 112.666 179.71 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -87.71 -10.94 49.71 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 108.724 -0.843 . . . . 25.0 108.724 178.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.8 t -80.86 -39.91 25.7 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 122.065 0.936 . . . . 25.0 108.594 179.384 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 48.1 t30 . . . . . 0 C--O 1.218 -0.602 0 CA-C-O 127.433 3.492 . . . . 25.0 112.611 -175.614 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 13.8 t80 . . . . . 0 N--CA 1.509 2.498 0 CA-C-O 123.314 1.53 . . . . 25.0 114.375 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 61.1 t -102.87 130.05 53.56 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.459 0 O-C-N 121.186 -0.947 . . . . 25.0 108.964 178.595 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -73.87 127.24 32.33 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 107.001 -1.481 . . . . 25.0 107.001 175.448 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -167.35 -179.52 4.52 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.891 -0.781 . . . . 25.0 108.891 -171.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -77.84 128.11 33.47 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.504 -0.925 . . . . 25.0 108.504 173.104 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 6.9 mt -133.14 137.14 46.16 Favored 'General case' 0 CA--C 1.506 -0.727 0 N-CA-C 108.662 -0.866 . . . . 25.0 108.662 -178.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.8 161.32 38.4 Favored 'General case' 0 C--O 1.246 0.869 0 N-CA-C 109.783 -0.451 . . . . 25.0 109.783 -177.777 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 47.97 -135.2 16.39 Favored Glycine 0 CA--C 1.52 0.378 0 N-CA-C 116.173 1.229 . . . . 25.0 116.173 176.272 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -61.49 -29.03 69.72 Favored 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 118.476 -0.773 . . . . 25.0 111.711 179.422 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -64.45 -39.08 93.14 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 118.382 0.537 . . . . 25.0 109.571 175.215 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.85 -44.0 94.46 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 121.807 -0.558 . . . . 25.0 110.49 175.35 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 83.6 t -62.15 -42.01 93.48 Favored 'Isoleucine or valine' 0 C--O 1.247 0.962 0 N-CA-C 109.573 -0.528 . . . . 25.0 109.573 179.435 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -60.13 -43.23 95.83 Favored 'General case' 0 C--O 1.195 -1.797 0 C-N-CA 120.734 -0.386 . . . . 25.0 110.947 177.799 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.54 93.45 Favored 'General case' 0 N--CA 1.468 0.444 0 O-C-N 122.02 -0.425 . . . . 25.0 110.616 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.461 ' HG ' HD12 ' A' ' 16' ' ' LEU . 0.8 OUTLIER -62.65 -38.29 89.72 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-O 121.581 0.705 . . . . 25.0 111.193 178.396 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -68.09 -42.1 80.86 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 121.798 -0.564 . . . . 25.0 111.31 179.564 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.09 -38.47 78.98 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.03 -1.043 . . . . 25.0 111.115 -177.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 p -81.33 -35.66 14.22 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.867 0 C-N-CA 119.655 -0.818 . . . . 25.0 113.115 -178.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 11.9 t -125.9 -34.75 2.56 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 115.226 1.565 . . . . 25.0 115.226 -172.138 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.76 -40.74 99.2 Favored Glycine 0 C--O 1.218 -0.872 0 C-N-CA 120.135 -1.031 . . . . 25.0 112.804 -175.729 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.02 -2.61 31.48 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 175.027 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -108.37 -24.05 11.62 Favored 'General case' 0 C--O 1.254 1.333 0 O-C-N 121.255 -0.903 . . . . 25.0 111.24 -179.775 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -124.04 -139.12 5.29 Favored Glycine 0 C--O 1.215 -1.046 0 N-CA-C 108.791 -1.723 . . . . 25.0 108.791 -178.775 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -107.29 -27.61 5.23 Favored Glycine 0 C--O 1.209 -1.438 0 C-N-CA 120.429 -0.891 . . . . 25.0 114.115 178.727 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.2 t80 65.17 175.0 0.21 Allowed 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 114.478 1.288 . . . . 25.0 114.478 179.48 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -124.81 -6.0 7.43 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.318 0.859 . . . . 25.0 113.318 -174.199 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -79.02 72.23 6.62 Favored 'Trans proline' 0 C--N 1.394 2.927 0 C-N-CA 122.821 2.347 . . . . 25.0 112.374 -177.732 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' HIX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.501 2.09 0 C-N-CA 126.073 1.749 . . . . 25.0 112.708 -171.764 . . . . . . . . 0 0 . 1 stop_ save_